Geometry & MOs

Info

ID:	120667
PubChem CID:	50739896
Reduced:	ClOS2N3H10C18 (1)
Stoich.:	ABC2D3E10F18 (1)
Weight, g/mol:	437.086784
ΔH_f, kcal/mol:	89.36
Dipole, Da:	4.8
IP(EA), eV:	-9.09(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(quinoxalin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=N2)/C=C\3/C(=O)N(C(=S)S3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations