Geometry & MOs

Info

ID:	87952
PubChem CID:	49898936
Reduced:	NSO2H17C22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	499.125358
ΔH_f, kcal/mol:	-9.7
Dipole, Da:	3.4
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations