Geometry & MOs

Info

ID:	51322
PubChem CID:	12013969
Reduced:	OS2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	304.095558
ΔH_f, kcal/mol:	-50.88
Dipole, Da:	3.73
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1-adamantyl)-3-phenyldithiirane 1-oxide

Drug info:

PubChemData

Smile

CC(C)(C)[C@]1(SS1=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations