Geometry & MOs

Info

ID:

325784

PubChem CID:

126684938

Reduced:

N2O2C23H44 (1)

Stoich.:

A2B2C23D44 (1)

Weight, g/mol:

1116.456131

ΔHf, kcal/mol:

-158.54

Dipole, Da:

4.79

IP(EA), eV:

 -8.95(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(5S)-5-[5-[4-[(2R)-11-[4-[2-[(4S)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1-methylsulfonylimidazolidin-4-yl]-1H-imidazol-5-yl]phenyl]-2-methyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]-1H-imidazol-2-yl]-3-methylsulfonylimidazolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCC(CCCCC)C(=O)[C@@H]1CCCN1C(=O)C(C(C)C)NC

DOS

IR

Vibrations