Geometry & MOs

Info

ID:

100138

PubChem CID:

50058680

Reduced:

O4N5C34H41 (1)

Stoich.:

A4B5C34D41 (1)

Weight, g/mol:

617.300205

ΔHf, kcal/mol:

-141.39

Dipole, Da:

7.84

IP(EA), eV:

 -8.74(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-[(3-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC(=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)C)C

DOS

IR

Vibrations