Geometry & MOs

Info

ID:	118241
PubChem CID:	50635705
Reduced:	ClN5O5C29H38 (1)
Stoich.:	AB5C5D29E38 (1)
Weight, g/mol:	504.169496
ΔH_f, kcal/mol:	-197.99
Dipole, Da:	2.19
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations