Geometry & MOs

Info

ID:	22076
PubChem CID:	595948
Reduced:	FCl2O2S2H3N4C9 (1)
Stoich.:	AB2C2D2E3F4G9 (1)
Weight, g/mol:	351.905851
ΔH_f, kcal/mol:	48.82
Dipole, Da:	2.82
IP(EA), eV:	-9.23(-2.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-chlorodithiazol-5-ylidene)-nitromethyl]-(3-chloro-4-fluorophenyl)diazene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N=NC(=C2C(=NSS2)Cl)[N+](=O)[O-])Cl)F

DOS

IR

Vibrations