Geometry & MOs

Info

ID:	408537
PubChem CID:	135081303
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	400.186087
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	2.41
IP(EA), eV:	-9.41(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R)-2-(triphenyl-lambda4-sulfanyl)cyclohex-3-en-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)[C@H]1CCC=CC1)O

DOS

IR

Vibrations