Geometry & MOs

Info

ID:	54003
PubChem CID:	14719432
Reduced:	O3C25H52 (1)
Stoich.:	A3B25C52 (1)
Weight, g/mol:	454.438596
ΔH_f, kcal/mol:	-232.28
Dipole, Da:	1.72
IP(EA), eV:	-9.64(2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R)-2-dodecyl-3-hydroxyhexadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCCCOCCCCO

DOS

IR

Vibrations