Geometry & MOs

Info

ID:	23235
PubChem CID:	602897
Reduced:	ClNOSH4C5 (2)
Stoich.:	ABCDE4F5 (2)
Weight, g/mol:	321.940425
ΔH_f, kcal/mol:	-6.85
Dipole, Da:	0.73
IP(EA), eV:	-8.47(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)dithiazol-5-imine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1N=C2C(=NSS2)Cl)OC)Cl

DOS

IR

Vibrations