Geometry & MOs

Info

ID:	117478
PubChem CID:	50604192
Reduced:	ClO5N6C27H33 (1)
Stoich.:	AB5C6D27E33 (1)
Weight, g/mol:	499.198632
ΔH_f, kcal/mol:	-196.36
Dipole, Da:	4.91
IP(EA), eV:	-9.18(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[2-(2-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations