Geometry & MOs

Info

ID:	26672
PubChem CID:	794556
Reduced:	SCl2N2O2H10C13 (1)
Stoich.:	AB2C2D2E10F13 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	2.58
IP(EA), eV:	-9.12(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CN1C(=O)C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)N(C1=S)C

DOS

IR

Vibrations