Geometry & MOs

Info

ID:	114949
PubChem CID:	50503159
Reduced:	ClO4N5C32H36 (1)
Stoich.:	AB4C5D32E36 (1)
Weight, g/mol:	575.229932
ΔH_f, kcal/mol:	-139.11
Dipole, Da:	10.98
IP(EA), eV:	-8.47(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-benzamidophenyl)-1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC(C)C

DOS

IR

Vibrations