Geometry & MOs

Info

ID:	400623
PubChem CID:	135048526
Reduced:	OPH21C22 (1)
Stoich.:	ABC21D22 (1)
Weight, g/mol:	378.186481
ΔH_f, kcal/mol:	-12.35
Dipole, Da:	4.42
IP(EA), eV:	-9.0(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[(1R,5S)-1-(benzenesulfinyl)-5-hydroxycyclopent-2-en-1-yl]hexanoate

Drug info:

PubChemData

Smile

C1CC(P(=O)([C@@H]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations