Geometry & MOs

Info

ID:	300212
PubChem CID:	121269861
Reduced:	ClNSF3O4H11C15 (1)
Stoich.:	ABCD3E4F11G15 (1)
Weight, g/mol:	373.022035
ΔH_f, kcal/mol:	-258.65
Dipole, Da:	5.85
IP(EA), eV:	-10.14(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[[4-(3-fluoroprop-1-ynyl)-1,1,3-trioxo-1-benzothiophen-5-yl]oxy]benzonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C2C(C(C(C2=C(C=C1)OC3=CC(=CN=C3)Cl)F)(F)F)O

DOS

IR

Vibrations