Geometry & MOs

Info

ID:	198955
PubChem CID:	79178000
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	316.052921
ΔH_f, kcal/mol:	-8.95
Dipole, Da:	5.67
IP(EA), eV:	-8.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(N1C2=CC=CC=C2)CNC(C)(C)CO

DOS

IR

Vibrations