Geometry & MOs

Info

ID:

44041

PubChem CID:

10500599

Reduced:

O2N3C9H13 (2)

Stoich.:

A2B3C9D13 (2)

Weight, g/mol:

390.225368

ΔHf, kcal/mol:

-154.69

Dipole, Da:

5.08

IP(EA), eV:

 -8.78(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[4-[(1S,4S)-1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](C[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations