Geometry & MOs

Info

ID:

161062

PubChem CID:

57390654

Reduced:

ON3C11H11 (2)

Stoich.:

AB3C11D11 (2)

Weight, g/mol:

863.466721

ΔHf, kcal/mol:

21.41

Dipole, Da:

3.56

IP(EA), eV:

 -8.68(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2S,3R,6R)-7-acetyloxy-2-[(1S,3S,7S,8S,11S,12S,14S,15R,16R)-14-acetyloxy-7,12,16-trimethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-enyl]-6-methyl-5-methylidene-4-oxoheptan-3-yl]oxy-4-oxobutanoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC4=C(C=C3)C=C5N4CCCNC5=O

DOS

IR

Vibrations