Geometry & MOs

Info

ID:	87831
PubChem CID:	49897805
Reduced:	SN3O7H17C20 (1)
Stoich.:	AB3C7D17E20 (1)
Weight, g/mol:	423.069592
ΔH_f, kcal/mol:	-142.23
Dipole, Da:	7.28
IP(EA), eV:	-9.0(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-chloro-4-ethoxyphenyl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1O)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations