Geometry & MOs

Info

ID:	88044
PubChem CID:	49900121
Reduced:	NSCl2O4H17C21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	500.995297
ΔH_f, kcal/mol:	-103.99
Dipole, Da:	4.55
IP(EA), eV:	-8.95(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)CC=C)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations