Geometry & MOs

Info

ID:	88086
PubChem CID:	49900762
Reduced:	NS2O6H21C25 (1)
Stoich.:	AB2C6D21E25 (1)
Weight, g/mol:	413.069734
ΔH_f, kcal/mol:	-152.9
Dipole, Da:	8.83
IP(EA), eV:	-8.8(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(naphthalen-1-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OS(=O)(=O)C4=CC=CC=C4)/SC2=O

DOS

IR

Vibrations