Geometry & MOs

Info

ID:	373153
PubChem CID:	131310778
Reduced:	SF3N4H7C8 (1)
Stoich.:	AB3C4D7E8 (1)
Weight, g/mol:	263.985922
ΔH_f, kcal/mol:	-80.07
Dipole, Da:	6.08
IP(EA), eV:	-8.82(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-chloro-4-methylsulfonylphenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2C=CC(=N2)C(F)(F)F)N

DOS

IR

Vibrations