Geometry & MOs

Info

ID:	87883
PubChem CID:	49898322
Reduced:	NSO4H17C22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	426.140199
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	4.54
IP(EA), eV:	-8.89(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(naphthalen-2-ylmethyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)O

DOS

IR

Vibrations