Geometry & MOs

Info

ID:	21065
PubChem CID:	587070
Reduced:	OCl2N2S2H4C11 (1)
Stoich.:	AB2C2D2E4F11 (1)
Weight, g/mol:	313.914211
ΔH_f, kcal/mol:	64.45
Dipole, Da:	2.64
IP(EA), eV:	-9.27(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorodithiazol-5-ylidene)-3-(4-chlorophenyl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C(=C2C(=NSS2)Cl)C#N)Cl

DOS

IR

Vibrations