Geometry & MOs

Info

ID:	179308
PubChem CID:	76463970
Reduced:	O5C43H70 (1)
Stoich.:	A5B43C70 (1)
Weight, g/mol:	636.569276
ΔH_f, kcal/mol:	-252.54
Dipole, Da:	0.73
IP(EA), eV:	-9.38(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-2-octadecanoyloxypropyl) nonadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCC=CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCC=CCC=CCC=CCC=CCC

DOS

IR

Vibrations