Geometry & MOs

Info

ID:	300207
PubChem CID:	121269854
Reduced:	ClSF4O5H13C17 (1)
Stoich.:	ABC4D5E13F17 (1)
Weight, g/mol:	312.059584
ΔH_f, kcal/mol:	-369.83
Dipole, Da:	6.57
IP(EA), eV:	-10.18(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-4-benzylsulfanyl-1,2,2,7-tetrafluoro-1,3-dihydroindene

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(C=CC(=C2C1CO)OC3=CC(=CC(=C3)Cl)F)S(=O)(=O)C(F)(F)F)O

DOS

IR

Vibrations