Geometry & MOs

Info

ID:	87994
PubChem CID:	49899471
Reduced:	NSO4H23C26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	519.04627
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	2.41
IP(EA), eV:	-8.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1O)CC=C)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations