Geometry & MOs

Info

ID:	382153
PubChem CID:	134973117
Reduced:	O4C9H14 (2)
Stoich.:	A4B9C14 (2)
Weight, g/mol:	342.128966
ΔH_f, kcal/mol:	-376.58
Dipole, Da:	1.43
IP(EA), eV:	-10.27(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-1-(2-tricyclo[4.2.1.02,5]non-7-enyl)pent-4-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\C[C@H]([C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C)O

DOS

IR

Vibrations