Geometry & MOs

Info

ID:	231273
PubChem CID:	87573318
Reduced:	PSF3O3C15H32 (1)
Stoich.:	ABC3D3E15F32 (1)
Weight, g/mol:	400.127051
ΔH_f, kcal/mol:	-319.72
Dipole, Da:	23.42
IP(EA), eV:	-9.48(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-carboxy-5-cyanobicyclo[2.2.1]heptane-2-carbonyl)oxycarbonyl-6-cyanobicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC(CC)C(CC)(CC)[PH3+].C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations