Geometry & MOs

Info

ID:	16972
PubChem CID:	481396
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-21.82
Dipole, Da:	5.78
IP(EA), eV:	-9.58(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-methyl-3-phenyl-3H-1,2-benzothiazole 1,1-dioxide

Drug info:

PubChemData

Smile

CN1[C@H](C2=CC=CC=C2S1(=O)=O)C3=CC=CC=C3

DOS

IR

Vibrations