Geometry & MOs

Info

ID:	116357
PubChem CID:	50557619
Reduced:	Cl2O4N5C30H37 (1)
Stoich.:	A2B4C5D30E37 (1)
Weight, g/mol:	513.214282
ΔH_f, kcal/mol:	-173.91
Dipole, Da:	8.24
IP(EA), eV:	-9.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamoyl-6-methylphenyl)-1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)N4CCCCC4)Cl)Cl

DOS

IR

Vibrations