Geometry & MOs

Info

ID:	387630
PubChem CID:	134986236
Reduced:	N2Cl4C7H12 (1)
Stoich.:	A2B4C7D12 (1)
Weight, g/mol:	252.062029
ΔH_f, kcal/mol:	-13.42
Dipole, Da:	14.81
IP(EA), eV:	-8.26(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,6S)-1-(benzenesulfonyl)-6-fluorobicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CC(=C(/[NH+]=C(\C(C)(Cl)Cl)/N)Cl)C.[Cl-]

DOS

IR

Vibrations