Geometry & MOs

Info

ID:	403898
PubChem CID:	135062494
Reduced:	O2H30C33 (1)
Stoich.:	A2B30C33 (1)
Weight, g/mol:	516.248309
ΔH_f, kcal/mol:	58.03
Dipole, Da:	2.96
IP(EA), eV:	-8.69(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(4S)-5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-fluorocyclopropane-1-carboxylate

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

CC(C)(C)C1=CC=C(C=C1)C#C/C(=C/C(C2=CC=CC=C2)(C3=CC=CC=C3)O)/OC4=CC=CC=C4

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

CC(C)(C)C1=CC=C(C=C1)C#C/C(=C/C(C2=CC=CC=C2)(C3=CC=CC=C3)O)/OC4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):