Geometry & MOs

Info

ID:

161082

PubChem CID:

57390707

Reduced:

ON2C27H30 (1)

Stoich.:

AB2C27D30 (1)

Weight, g/mol:

690.316899

ΔHf, kcal/mol:

-2.86

Dipole, Da:

3.92

IP(EA), eV:

 -8.73(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(2R,5R,6S)-5-acetyloxy-6-[(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]-2-methyl-3-methylidene-4-oxoheptoxy]-2-oxoethyl]phosphonic acid

Drug info:

PubChemData

Smile

CC(C)CN1CC[C@]23CC4=NC5=CC=CC=C5C=C4C[C@H]2[C@H]1CC6=C3C(=CC=C6)O

DOS

IR

Vibrations