Geometry & MOs

Info

ID:	216258
PubChem CID:	85085958
Reduced:	SO4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	246.128966
ΔH_f, kcal/mol:	-190.91
Dipole, Da:	5.52
IP(EA), eV:	-10.05(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxybutoxy)-2-methyl-6-sulfanylhept-3-yn-2-ol

Drug info:

PubChemData

Smile

CC1CC2=CC(C(CC2(S(=O)(=O)O1)C)O)C

DOS

IR

Vibrations