Geometry & MOs

Info

ID:	124041
PubChem CID:	50870742
Reduced:	N2S3O6H14C22 (1)
Stoich.:	A2B3C6D14E22 (1)
Weight, g/mol:	467.041664
ΔH_f, kcal/mol:	-24.79
Dipole, Da:	7.65
IP(EA), eV:	-9.07(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC(=CC=C3)[N+](=O)[O-])OC(=O)C4=CC=CS4

DOS

IR

Vibrations