Geometry & MOs

Info

ID:	5306
PubChem CID:	12934
Reduced:	ClS2N3O4H8C13 (1)
Stoich.:	AB2C3D4E8F13 (1)
Weight, g/mol:	368.964476
ΔH_f, kcal/mol:	63.1
Dipole, Da:	4.98
IP(EA), eV:	-9.37(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-(2,4-dinitrophenyl)sulfanylmethanimidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N=C(S)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

DOS

IR

Vibrations