Geometry & MOs

Info

ID:	95307
PubChem CID:	50008021
Reduced:	O4N5C26H33 (1)
Stoich.:	A4B5C26D33 (1)
Weight, g/mol:	561.214282
ΔH_f, kcal/mol:	-152.01
Dipole, Da:	4.57
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzamido-2-chlorophenyl)-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C

DOS

IR

Vibrations