Geometry & MOs

Info

ID:	113684
PubChem CID:	50454916
Reduced:	ClO5N6C36H41 (1)
Stoich.:	AB5C6D36E41 (1)
Weight, g/mol:	518.208469
ΔH_f, kcal/mol:	-172.32
Dipole, Da:	3.8
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations