Geometry & MOs

Info

ID:	445855
PubChem CID:	135269814
Reduced:	SF2O3N6C26H26 (1)
Stoich.:	AB2C3D6E26F26 (1)
Weight, g/mol:	930.596947
ΔH_f, kcal/mol:	-61.48
Dipole, Da:	5.26
IP(EA), eV:	-8.5(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[[(2R,6S)-6-[[[1-(2-methylprop-2-enoyloxy)-3-(4-nonylphenoxy)propan-2-yl]oxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]methylcarbamoyloxy]-3-(4-nonylphenoxy)propyl] 2-methylprop-2-enoate

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

C1COCCC1S(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C4=NN=C(O4)C5=C(C=C(C=C5)CNCCF)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

C1COCCC1S(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C4=NN=C(O4)C5=C(C=C(C=C5)CNCCF)F)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):