Geometry & MOs

Info

ID:	86943
PubChem CID:	49890099
Reduced:	FNSO3H16C22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	314.052527
ΔH_f, kcal/mol:	-86.44
Dipole, Da:	5.09
IP(EA), eV:	-8.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations