Geometry & MOs

Info

ID:	179368
PubChem CID:	76472014
Reduced:	OC8H11 (4)
Stoich.:	AB8C11 (4)
Weight, g/mol:	288.070131
ΔH_f, kcal/mol:	-174.62
Dipole, Da:	5.52
IP(EA), eV:	-8.81(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-hydroxy-3-sulfanylpropan-2-yl)oxy-6-sulfanylhexane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC3(CCC2CC=O)OCCO3)OCC4=CC=CC=C4

DOS

IR

Vibrations