Geometry & MOs

Info

ID:	309462
PubChem CID:	126546411
Reduced:	NC19H37 (1)
Stoich.:	AB19C37 (1)
Weight, g/mol:	222.056195
ΔH_f, kcal/mol:	-71.09
Dipole, Da:	1.04
IP(EA), eV:	-8.14(2.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5S)-2-(hydroxymethyl)-4-(2-sulfanylethoxy)-3,7-dioxabicyclo[4.1.0]heptan-5-ol

Drug info:

PubChemData

Smile

CC(CCN1C(CCCC1(C)C)(C)C)C2CCCCC2

DOS

IR

Vibrations