Geometry & MOs

Info

ID:

112155

PubChem CID:

50397661

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

684.399919

ΔHf, kcal/mol:

-227.02

Dipole, Da:

9.23

IP(EA), eV:

 -8.96(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(cyclopentylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C)C(=O)NC4CCCC4

DOS

IR

Vibrations