Geometry & MOs

Info

ID:	389344
PubChem CID:	134992412
Reduced:	BiC3S3O7F9 (1)
Stoich.:	AB3C3D7E9 (1)
Weight, g/mol:	188.064886
ΔH_f, kcal/mol:	-729.61
Dipole, Da:	5.77
IP(EA), eV:	-9.45(-2.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,4R)-3-(difluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C(F)(F)(F)SO[Bi](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations