Geometry & MOs

Info

ID:

114947

PubChem CID:

50503048

Reduced:

Cl2O4N5C31H33 (1)

Stoich.:

A2B4C5D31E33 (1)

Weight, g/mol:

609.19096

ΔHf, kcal/mol:

-134.2

Dipole, Da:

2.51

IP(EA), eV:

 -9.06(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-chlorobenzoyl)amino]phenyl]-1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations