Geometry & MOs

Info

ID:	407084
PubChem CID:	135079291
Reduced:	BSF4C20H29 (1)
Stoich.:	ABC4D20E29 (1)
Weight, g/mol:	374.119722
ΔH_f, kcal/mol:	-367.8
Dipole, Da:	13.92
IP(EA), eV:	-9.56(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,7,7-trimethyl-6-(2-methylprop-2-enyl)-6lambda4-thiabicyclo[3.2.1]octan-6-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC1CCC2CC1[S+](C2(C)C)C/C(=C/C3=CC=CC=C3)/C

DOS

IR

Vibrations