Geometry & MOs

Info

ID:

329386

PubChem CID:

126735941

Reduced:

NOH13C15 (1)

Stoich.:

ABC13D15 (1)

Weight, g/mol:

452.225762

ΔHf, kcal/mol:

23.88

Dipole, Da:

3.12

IP(EA), eV:

 -8.47(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S)-2-[[(5aR,8S)-9-hydroxy-7-(hydroxymethyl)-2-methyl-4-(2-methylpropyl)-2,3,4,5a,7,8,9,9a-octahydropyrano[2,3-b][1,4]dioxepin-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(N2C=CC3=CC=CC=C32)O

DOS

IR

Vibrations