Geometry & MOs

Info

ID:	110482
PubChem CID:	50326118
Reduced:	ClO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	519.14401
ΔH_f, kcal/mol:	-158.39
Dipole, Da:	3.14
IP(EA), eV:	-8.93(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N

DOS

IR

Vibrations