Geometry & MOs

Info

ID:	9457
PubChem CID:	89704
Reduced:	O2C39H78 (1)
Stoich.:	A2B39C78 (1)
Weight, g/mol:	578.600182
ΔH_f, kcal/mol:	-268.62
Dipole, Da:	1.46
IP(EA), eV:	-10.3(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

docosyl heptadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCC

DOS

IR

Vibrations