Geometry & MOs

Info

ID:

93868

PubChem CID:

49997346

Reduced:

O4N5C34H41 (1)

Stoich.:

A4B5C34D41 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-141.71

Dipole, Da:

11.12

IP(EA), eV:

 -8.48(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-[(3-methylbenzoyl)amino]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=CC=C(C=C3)NC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations