Geometry & MOs

Info

ID:	11503
PubChem CID:	116509
Reduced:	S2N4O5C8H12 (1)
Stoich.:	A2B4C5D8E12 (1)
Weight, g/mol:	308.024912
ΔH_f, kcal/mol:	-91.53
Dipole, Da:	6.7
IP(EA), eV:	-9.71(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-amino-2-(4-nitrophenyl)ethanimidamide;sulfurothioic S-acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=NN)N)[N+](=O)[O-].OS(=O)(=O)S

DOS

IR

Vibrations