Geometry & MOs

Info

ID:	64139
PubChem CID:	29196326
Reduced:	SCl2N2O3C17H18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	449.14207
ΔH_f, kcal/mol:	-97.09
Dipole, Da:	3.29
IP(EA), eV:	-9.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethylcarbamoyl]phenyl] acetate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations