Geometry & MOs

Info

ID:	87271
PubChem CID:	49893511
Reduced:	SN2O3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	433.114793
ΔH_f, kcal/mol:	-29.92
Dipole, Da:	2.44
IP(EA), eV:	-9.32(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC#N)/SC2=O

DOS

IR

Vibrations