Geometry & MOs

Info

ID:	87171
PubChem CID:	49892848
Reduced:	NSCl2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	514.015698
ΔH_f, kcal/mol:	-92.09
Dipole, Da:	4.16
IP(EA), eV:	-8.69(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OCC4=CC=CC=C4

DOS

IR

Vibrations