Geometry & MOs

Info

ID:	300211
PubChem CID:	121269858
Reduced:	SN2F4O4H12C17 (1)
Stoich.:	AB2C4D4E12F17 (1)
Weight, g/mol:	393.004941
ΔH_f, kcal/mol:	-279.54
Dipole, Da:	3.93
IP(EA), eV:	-9.94(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloropyridin-3-yl)oxy-2,2,3-trifluoro-7-methylsulfonyl-1,3-dihydroinden-1-ol

Drug info:

PubChemData

Smile

C1[C@H](C2=C(C=CC(=C2[C@H]1O)S(=O)(=O)C(F)(F)F)OC3=CC(=CC(=C3)C#N)F)N

DOS

IR

Vibrations