Geometry & MOs

Info

ID:	86858
PubChem CID:	49889783
Reduced:	FNSO5H18C20 (1)
Stoich.:	ABCD5E18F20 (1)
Weight, g/mol:	381.044662
ΔH_f, kcal/mol:	-172.38
Dipole, Da:	2.76
IP(EA), eV:	-8.95(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]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=CC=C(C=C3)F)OC)OC

DOS

IR

Vibrations