Geometry & MOs

Info

ID:	300235
PubChem CID:	121269906
Reduced:	SF4O4H8C15 (1)
Stoich.:	AB4C4D8E15 (1)
Weight, g/mol:	509.016791
ΔH_f, kcal/mol:	-290.71
Dipole, Da:	1.29
IP(EA), eV:	-10.17(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[(1-oxo-7-sulfanyl-2,3-dihydroinden-4-yl)oxy]benzonitrile;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1C(=O)C2=C(S1(=O)=O)C=CC(=C2C(F)F)OC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations