Geometry & MOs

Info

ID:	216261
PubChem CID:	85085961
Reduced:	OC17H26 (1)
Stoich.:	AB17C26 (1)
Weight, g/mol:	246.165351
ΔH_f, kcal/mol:	-58.15
Dipole, Da:	2.56
IP(EA), eV:	-9.37(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylcyclohexyl) propane-2-sulfinate

Drug info:

PubChemData

Smile

CCC(C=CC1=CC=CC=C1C(C)O)C(C)(C)C

DOS

IR

Vibrations