Geometry & MOs

Info

ID:	124084
PubChem CID:	50872038
Reduced:	N3O6H19C24 (1)
Stoich.:	A3B6C19D24 (1)
Weight, g/mol:	512.026742
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	5.74
IP(EA), eV:	-8.95(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations