Geometry & MOs

Info

ID:	226408
PubChem CID:	87351887
Reduced:	SO4C25H46 (1)
Stoich.:	AB4C25D46 (1)
Weight, g/mol:	266.172939
ΔH_f, kcal/mol:	-247.85
Dipole, Da:	7.98
IP(EA), eV:	-10.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2,6,6-tris(hydroxymethyl)heptane-1,3,7-triol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCO.CC1=CC=C(C=C1)S(=O)(=O)O

DOS

IR

Vibrations