Geometry & MOs

Info

ID:	185234
PubChem CID:	77272706
Reduced:	NPO10C29H56 (1)
Stoich.:	ABC10D29E56 (1)
Weight, g/mol:	426.298139
ΔH_f, kcal/mol:	-559.17
Dipole, Da:	20.36
IP(EA), eV:	-9.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,2-dihydroxyethyl)-2,6-dioxocyclohexyl] hexadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC1(C(=O)CCCC1=O)C(CO)O.C[N+](C)(C)CCOP(=O)(O)[O-]

DOS

IR

Vibrations