Geometry & MOs

Info

ID:	119959
PubChem CID:	50708662
Reduced:	ClSO4N6C26H35 (1)
Stoich.:	ABC4D6E26F35 (1)
Weight, g/mol:	462.122546
ΔH_f, kcal/mol:	-154.7
Dipole, Da:	3.56
IP(EA), eV:	-9.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=NC=CS3

DOS

IR

Vibrations