Geometry & MOs

Info

ID:	401171
PubChem CID:	135050412
Reduced:	SO5C24H26 (1)
Stoich.:	AB5C24D26 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-150.88
Dipole, Da:	2.74
IP(EA), eV:	-9.5(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) pyridine-2-sulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[C@]23C=C[C@H](C[C@@H]2O[C@H](C4=CC=CC=C4)C(C)C)OC3=O

DOS

IR

Vibrations