Geometry & MOs

Info

ID:	63441
PubChem CID:	26758352
Reduced:	SF3O3N5C18H20 (1)
Stoich.:	AB3C3D5E18F20 (1)
Weight, g/mol:	491.058566
ΔH_f, kcal/mol:	-210.86
Dipole, Da:	7.96
IP(EA), eV:	-9.17(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations