Geometry & MOs

Info

ID:	231902
PubChem CID:	87574870
Reduced:	C6O6H7 (2)
Stoich.:	A6B6C7 (2)
Weight, g/mol:	686.159535
ΔH_f, kcal/mol:	-511.95
Dipole, Da:	4.65
IP(EA), eV:	-11.11(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,1,1,3,3,3-hexafluoro-2-[(triphenyl-lambda4-sulfanyl)oxysulfonylmethyl]propan-2-yl] adamantane-1-carboxylate

Drug info:

PubChemData

Smile

C(CC(=O)OC(CC(=O)O)C(=O)O)C(=O)O.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations