Geometry & MOs

Info

ID:	110515
PubChem CID:	50328398
Reduced:	ClO5N6C27H33 (1)
Stoich.:	AB5C6D27E33 (1)
Weight, g/mol:	499.198632
ΔH_f, kcal/mol:	-205.98
Dipole, Da:	6.4
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations