Geometry & MOs

Info

ID:	389640
PubChem CID:	134994224
Reduced:	NOSC12H23 (1)
Stoich.:	ABCD12E23 (1)
Weight, g/mol:	246.165351
ΔH_f, kcal/mol:	-44.99
Dipole, Da:	2.51
IP(EA), eV:	-8.22(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl] propane-2-sulfinate

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N1C[C@H]1C2CCCCC2

DOS

IR

Vibrations