Geometry & MOs

Info

ID:	51769
PubChem CID:	12014506
Reduced:	OSC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	286.139137
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	1.08
IP(EA), eV:	-8.79(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-phenylspiro[1,3-oxathiolane-2,2'-adamantane]

Drug info:

PubChemData

Smile

C[C@@H]1COC2(S1)C3CC4CC(C3)CC2C4

DOS

IR

Vibrations