Geometry & MOs

Info

ID:	433072
PubChem CID:	135173209
Reduced:	O3N6C26H28 (1)
Stoich.:	A3B6C26D28 (1)
Weight, g/mol:	588.314577
ΔH_f, kcal/mol:	-9.76
Dipole, Da:	5.59
IP(EA), eV:	-8.58(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3S,4R,6R)-2,3,4-triacetyloxy-6-(acetyloxymethyl)cyclohexyl] 13,14-dihydroxytetradecanoate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=N2)C3=CC4=C(C=C3)N=C5N4[C@H](COC5)C6=CC=CC=C6)C(CO)O

DOS

IR

Vibrations