Geometry & MOs

Info

ID:

117440

PubChem CID:

50603266

Reduced:

Cl2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

647.287447

ΔHf, kcal/mol:

-136.6

Dipole, Da:

6.19

IP(EA), eV:

 -8.6(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations