Geometry & MOs

Info

ID:	119814
PubChem CID:	50703241
Reduced:	ClO4N5C31H34 (1)
Stoich.:	AB4C5D31E34 (1)
Weight, g/mol:	560.219033
ΔH_f, kcal/mol:	-128.03
Dipole, Da:	8.18
IP(EA), eV:	-8.79(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-1-[1-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations