Geometry & MOs

Info

ID:	120401
PubChem CID:	50725603
Reduced:	Cl3O3N4C23H25 (1)
Stoich.:	A3B3C4D23E25 (1)
Weight, g/mol:	476.138196
ΔH_f, kcal/mol:	-121.24
Dipole, Da:	9.44
IP(EA), eV:	-8.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC)Cl)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations