Geometry & MOs

Info

ID:

80832

PubChem CID:

49846400

Reduced:

S2O3N4C20H20 (1)

Stoich.:

A2B3C4D20E20 (1)

Weight, g/mol:

779.375495

ΔHf, kcal/mol:

-47.46

Dipole, Da:

6.39

IP(EA), eV:

 -8.93(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[6-[5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-oxo-1H-pyridin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)CSC(=S)NCC2=CC3=C(C=C2)NC(=NC3=O)N

DOS

IR

Vibrations