Geometry & MOs

Info

ID:

93860

PubChem CID:

49997312

Reduced:

N5O5C35H43 (1)

Stoich.:

A5B5C35D43 (1)

Weight, g/mol:

613.32642

ΔHf, kcal/mol:

-180.53

Dipole, Da:

6.86

IP(EA), eV:

 -8.28(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methoxy-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)OC

DOS

IR

Vibrations