Geometry & MOs

Info

ID:	110480
PubChem CID:	50326116
Reduced:	ClO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	547.198632
ΔH_f, kcal/mol:	-164.51
Dipole, Da:	7.07
IP(EA), eV:	-8.85(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-benzamido-3-chlorophenyl)-1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N)Cl

DOS

IR

Vibrations