Geometry & MOs

Info

ID:

111615

PubChem CID:

50375319

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

631.37337

ΔHf, kcal/mol:

-222.54

Dipole, Da:

4.85

IP(EA), eV:

 -8.7(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC(=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations