Geometry & MOs

Info

ID:	172913
PubChem CID:	75572334
Reduced:	ClN2S2O4H13C24 (1)
Stoich.:	AB2C2D4E13F24 (1)
Weight, g/mol:	422.016177
ΔH_f, kcal/mol:	53.65
Dipole, Da:	5.04
IP(EA), eV:	-9.01(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C(=O)C(=CC4=CC=C(O4)C5=C(C=CC(=C5)[N+](=O)[O-])Cl)SC3=S

DOS

IR

Vibrations