Geometry & MOs

Info

ID:	124141
PubChem CID:	50873480
Reduced:	ON2S2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	502.993189
ΔH_f, kcal/mol:	52.07
Dipole, Da:	7.23
IP(EA), eV:	-8.37(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)/C(=C\C2=CC=C(C=C2)N(C)C3=CC=CC=C3)/SC1=S

DOS

IR

Vibrations