Geometry & MOs

Info

ID:	165175
PubChem CID:	74511612
Reduced:	SF2N2O3C16H18 (1)
Stoich.:	AB2C2D3E16F18 (1)
Weight, g/mol:	426.061648
ΔH_f, kcal/mol:	-163.12
Dipole, Da:	2.55
IP(EA), eV:	-9.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC=CC=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations