Geometry & MOs

Info

ID:	178770
PubChem CID:	76379225
Reduced:	O4N5C12H19 (1)
Stoich.:	A4B5C12D19 (1)
Weight, g/mol:	825.669384
ΔH_f, kcal/mol:	-126.93
Dipole, Da:	5.17
IP(EA), eV:	-9.33(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,5-dihydroxy-6-(hydroxymethyl)-3-(tetradecanoylamino)oxan-4-yl] 3-tetradecanoyloxytetradecanoate

Drug info:

PubChemData

Smile

CCN1CN(C2=NC(=NC(=O)C21)N)C3CC(C(O3)CO)O

DOS

IR

Vibrations