Geometry & MOs

Info

ID:	385654
PubChem CID:	134979644
Reduced:	SO3C18H26 (1)
Stoich.:	AB3C18D26 (1)
Weight, g/mol:	270.052607
ΔH_f, kcal/mol:	-117.34
Dipole, Da:	5.13
IP(EA), eV:	-9.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,5S,6R)-5-(benzenesulfonyl)-5,6-difluorobicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CCCCCC1=C[C@H]([C@@H](CC1)S(=O)(=O)C2=CC=CC=C2)OC

DOS

IR

Vibrations