Geometry & MOs

Info

ID:

116443

PubChem CID:

50560677

Reduced:

Cl2O4N5C33H35 (1)

Stoich.:

A2B4C5D33E35 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-127.92

Dipole, Da:

6.0

IP(EA), eV:

 -8.82(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(butan-2-ylcarbamoyl)phenyl]-1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCC2)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations