Geometry & MOs

Info

ID:	235154
PubChem CID:	92304139
Reduced:	NO2S2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	328.070405
ΔH_f, kcal/mol:	-1.7
Dipole, Da:	3.63
IP(EA), eV:	-8.76(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(2-ethylphenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C(=O)/C(=C/C3=CC=C(O3)C)/SC2=S

DOS

IR

Vibrations