Geometry & MOs

Info

ID:	387678
PubChem CID:	134986417
Reduced:	S2C13H24 (1)
Stoich.:	A2B13C24 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-14.98
Dipole, Da:	0.7
IP(EA), eV:	-8.39(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S,3R,6R)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CSC1(C2C1CCCCCCCC2)SC

DOS

IR

Vibrations