Geometry & MOs

Info

ID:	337775
PubChem CID:	127258398
Reduced:	SO5C9H17 (2)
Stoich.:	AB5C9D17 (2)
Weight, g/mol:	514.202295
ΔH_f, kcal/mol:	-491.53
Dipole, Da:	5.82
IP(EA), eV:	-10.8(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-acetyloxy-4-(acetyloxymethyl)-2-methylpentan-2-yl]-diphenylsilyl]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(C(COC(=O)CCC(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations