Geometry & MOs

Info

ID:	322317
PubChem CID:	126669719
Reduced:	SC12H22 (1)
Stoich.:	AB12C22 (1)
Weight, g/mol:	334.048665
ΔH_f, kcal/mol:	44.15
Dipole, Da:	1.28
IP(EA), eV:	-6.68(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-formyl-3-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CS(C)(C)CCC1CC2CC1C=C2

DOS

IR

Vibrations