Geometry & MOs

Info

ID:	178556
PubChem CID:	76348491
Reduced:	ClN3O4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	498.089532
ΔH_f, kcal/mol:	-106.24
Dipole, Da:	3.33
IP(EA), eV:	-8.42(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=CC(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations