Geometry & MOs

Info

ID:

93873

PubChem CID:

49997359

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-178.64

Dipole, Da:

10.21

IP(EA), eV:

 -8.83(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations