Geometry & MOs

Info

ID:	117776
PubChem CID:	50615305
Reduced:	ClO4N5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	623.20661
ΔH_f, kcal/mol:	-156.15
Dipole, Da:	8.09
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-methylpropylcarbamoyl)phenyl]-1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC

DOS

IR

Vibrations