Geometry & MOs

Info

ID:	57292
PubChem CID:	22395601
Reduced:	O8C16H25 (1)
Stoich.:	A8B16C25 (1)
Weight, g/mol:	346.162768
ΔH_f, kcal/mol:	-333.49
Dipole, Da:	4.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782739
Charge, e:	0

Chem-info

IUPAC name:

3-acetyloxycarbonyl-3-hydroxy-5-octoxy-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)CC(CC(=O)[O-])(C(=O)OC(=O)C)O

DOS

IR

Vibrations