Geometry & MOs

Info

ID:	14806
PubChem CID:	420983
Reduced:	S2O6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	462.117081
ΔH_f, kcal/mol:	-189.57
Dipole, Da:	4.03
IP(EA), eV:	-9.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-methylphenyl)sulfonyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3CC(C2COS(=O)(=O)C4=CC=C(C=C4)C)C=C3

DOS

IR

Vibrations