Geometry & MOs

Info

ID:	437604
PubChem CID:	135226651
Reduced:	O2C7H14 (3)
Stoich.:	A2B7C14 (3)
Weight, g/mol:	376.282489
ΔH_f, kcal/mol:	-347.02
Dipole, Da:	3.47
IP(EA), eV:	-10.2(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-2,4-dihydroxy-3-[(2S)-2-hydroxypropoxy]butyl] tridecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)OC[C@H](COC[C@H]([C@H](C)O)O)O

DOS

IR

Vibrations