Geometry & MOs

Info

ID:	393792
PubChem CID:	135021691
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	818.575543
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	3.6
IP(EA), eV:	-8.02(1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R)-3,4,5-trihydroxy-6-[(2R,5S)-3,4,5-trihydroxy-6-(13-methyltetradecanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 15-methylhexadecanoate

Drug info:

PubChemData

Smile

CC1=CC=C(N1[C@H]2CCC[C@@H](C2)C(C)O)C

DOS

IR

Vibrations