Geometry & MOs

Info

ID:	305176
PubChem CID:	124767375
Reduced:	O5C27H28 (1)
Stoich.:	A5B27C28 (1)
Weight, g/mol:	360.142902
ΔH_f, kcal/mol:	-35.88
Dipole, Da:	5.0
IP(EA), eV:	-9.37(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5R,6R)-5-butylsulfonyl-6-[(E)-2-butylsulfonylethenyl]bicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O1)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations