Geometry & MOs

Info

ID:	117480
PubChem CID:	50604205
Reduced:	BrClO4N5C24H27 (1)
Stoich.:	ABC4D5E24F27 (1)
Weight, g/mol:	513.177897
ΔH_f, kcal/mol:	-150.33
Dipole, Da:	8.36
IP(EA), eV:	-8.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations