Geometry & MOs

Info

ID:	22140
PubChem CID:	596078
Reduced:	Cl2O2S2F3H3N4C10 (1)
Stoich.:	A2B2C2D3E3F4G10 (1)
Weight, g/mol:	401.902658
ΔH_f, kcal/mol:	-43.82
Dipole, Da:	3.89
IP(EA), eV:	-9.44(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-chlorodithiazol-5-ylidene)-nitromethyl]-[2-chloro-4-(trifluoromethyl)phenyl]diazene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)Cl)N=NC(=C2C(=NSS2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations