Geometry & MOs

Info

ID:	386050
PubChem CID:	134980619
Reduced:	CH2 (10)
Stoich.:	AB2 (10)
Weight, g/mol:	270.052607
ΔH_f, kcal/mol:	-34.51
Dipole, Da:	0.07
IP(EA), eV:	-9.52(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)/C=C/C(C)(C)C

DOS

IR

Vibrations