Geometry & MOs

Info

ID:	117475
PubChem CID:	50604100
Reduced:	ClO4N5C31H42 (1)
Stoich.:	AB4C5D31E42 (1)
Weight, g/mol:	499.198632
ΔH_f, kcal/mol:	-172.57
Dipole, Da:	3.54
IP(EA), eV:	-8.97(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl)C

DOS

IR

Vibrations