Geometry & MOs

Info

ID:	9538
PubChem CID:	90693
Reduced:	SO2N3C7H7 (1)
Stoich.:	AB2C3D7E7 (1)
Weight, g/mol:	197.025898
ΔH_f, kcal/mol:	33.9
Dipole, Da:	6.96
IP(EA), eV:	-9.64(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-nitrobenzenecarboximidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C(=N)S)N

DOS

IR

Vibrations