Geometry & MOs

Info

ID:	195900
PubChem CID:	78745795
Reduced:	ClSN3O3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	368.979732
ΔH_f, kcal/mol:	-70.85
Dipole, Da:	4.59
IP(EA), eV:	-8.56(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations