Geometry & MOs

Info

ID:	87473
PubChem CID:	49894847
Reduced:	SN2O5H20C25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	399.114044
ΔH_f, kcal/mol:	-43.92
Dipole, Da:	5.62
IP(EA), eV:	-9.36(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-methylphenyl)methyl]-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations