Geometry & MOs

Info

ID:	388052
PubChem CID:	134987975
Reduced:	IO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	267.012077
ΔH_f, kcal/mol:	-151.98
Dipole, Da:	3.6
IP(EA), eV:	-10.13(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfonyl-2-azabicyclo[2.2.1]hepta-2,5-diene

Drug info:

PubChemData

Smile

CCCC(CCC)([C@H](C(=O)O)O)I

DOS

IR

Vibrations