Geometry & MOs

Info

ID:

190022

PubChem CID:

77943374

Reduced:

O6N8C43H60 (1)

Stoich.:

A6B8C43D60 (1)

Weight, g/mol:

857.458831

ΔHf, kcal/mol:

-234.51

Dipole, Da:

2.96

IP(EA), eV:

 -8.51(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[2-[5-[4-[1-methyl-4-[2-[1-[3-methyl-2-[(4-oxopiperidine-1-carbonyl)amino]butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohex-3-en-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CCC(CC3)(C)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)CC)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations