Geometry & MOs

Info

ID:	375601
PubChem CID:	134214079
Reduced:	F2S2O8C10H11 (1)
Stoich.:	A2B2C8D10E11 (1)
Weight, g/mol:	361.994166
ΔH_f, kcal/mol:	-354.87
Dipole, Da:	6.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771806
Charge, e:	0

Chem-info

IUPAC name:

1,1-difluoro-2-oxo-2-[(7-sulfinooxy-6-tricyclo[3.2.1.02,4]octanyl)oxy]ethanesulfonic acid

Drug info:

PubChemData

Smile

C1C2C1C3CC2C(C3OS(=O)[O-])OC(=O)C(F)(F)S(=O)(=O)O

DOS

IR

Vibrations