Geometry & MOs

Info

ID:	388329
PubChem CID:	134988811
Reduced:	INOSC9H12 (1)
Stoich.:	ABCDE9F12 (1)
Weight, g/mol:	198.009913
ΔH_f, kcal/mol:	39.95
Dipole, Da:	3.56
IP(EA), eV:	-8.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-amino 2-nitrobenzenecarbothioate

Drug info:

PubChemData

Smile

C/[N+](=C(/C1=CC=CC=C1)\SC)/O.[I-]

DOS

IR

Vibrations