Geometry & MOs

Info

ID:

91950

PubChem CID:

49980651

Reduced:

O4N5C35H47 (1)

Stoich.:

A4B5C35D47 (1)

Weight, g/mol:

559.315855

ΔHf, kcal/mol:

-183.24

Dipole, Da:

8.85

IP(EA), eV:

 -8.87(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)C

DOS

IR

Vibrations