Geometry & MOs

Info

ID:	87459
PubChem CID:	49894783
Reduced:	SN2O4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	477.099457
ΔH_f, kcal/mol:	-14.39
Dipole, Da:	4.92
IP(EA), eV:	-9.44(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations