Geometry & MOs

Info

ID:	327066
PubChem CID:	126688952
Reduced:	IO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	444.308704
ΔH_f, kcal/mol:	-97.44
Dipole, Da:	1.55
IP(EA), eV:	-9.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-hydroxy-2-octadecanoyloxypropanoyl)oxypropanoic acid

Drug info:

PubChemData

Smile

CC(C1CCCCC1)(OC=O)I

DOS

IR

Vibrations