Geometry & MOs

Info

ID:	401093
PubChem CID:	135050100
Reduced:	OC9H14 (1)
Stoich.:	AB9C14 (1)
Weight, g/mol:	350.15518
ΔH_f, kcal/mol:	-23.53
Dipole, Da:	1.72
IP(EA), eV:	-9.21(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-2-(3-oxobutyl)cyclononan-1-one

Drug info:

PubChemData

Smile

C/C(=C(\C)/C(C)(C)O)/C#C

DOS

IR

Vibrations