Geometry & MOs

Info

ID:	232273
PubChem CID:	87575849
Reduced:	O2F3N3H9C13 (2)
Stoich.:	A2B3C3D9E13 (2)
Weight, g/mol:	1126.37529
ΔH_f, kcal/mol:	-309.69
Dipole, Da:	1.9
IP(EA), eV:	-9.51(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[[(1R,4R,6S)-6-carboxy-5-[(1R,3S,4R)-3-carboxy-5-[[[(5,6-dicarboxy-2-bicyclo[2.2.1]heptanyl)-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]bicyclo[2.2.1]heptane-2-carbonyl]oxycarbonyl-2-bicyclo[2.2.1]heptanyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C(=O)N=C(N)NNC(=NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)C(F)(F)F)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C(=O)N=C(N)NNC(=NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)C(F)(F)F)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):