Geometry & MOs

Info

ID:	14220
PubChem CID:	406767
Reduced:	ClS2N3H10C19 (1)
Stoich.:	AB2C3D10E19 (1)
Weight, g/mol:	379.000467
ΔH_f, kcal/mol:	166.6
Dipole, Da:	5.26
IP(EA), eV:	-9.3(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-chlorophenyl)prop-2-enylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)SC(=CC=C(C#N)C#N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations