Geometry & MOs

Info

ID:	10708
PubChem CID:	106979
Reduced:	O7C46H88 (1)
Stoich.:	A7B46C88 (1)
Weight, g/mol:	752.653005
ΔH_f, kcal/mol:	-498.08
Dipole, Da:	5.76
IP(EA), eV:	-10.5(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-octadecoxycarbonyl-2-(2-octadecoxy-2-oxoethyl)heptanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(=O)CC(C(CCCC)C(=O)OCCCCCCCCCCCCCCCCCC)(C(=O)O)O

DOS

IR

Vibrations