Geometry & MOs

Info

ID:	87887
PubChem CID:	49898365
Reduced:	SN2O4H16C23 (1)
Stoich.:	AB2C4D16E23 (1)
Weight, g/mol:	461.16608
ΔH_f, kcal/mol:	8.13
Dipole, Da:	4.4
IP(EA), eV:	-9.04(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C=C/C4=CC=C(C=C4)[N+](=O)[O-])/SC3=O

DOS

IR

Vibrations