Geometry & MOs

Info

ID:

44336

PubChem CID:

10502863

Reduced:

SO3N4H20C23 (1)

Stoich.:

AB3C4D20E23 (1)

Weight, g/mol:

432.251189

ΔHf, kcal/mol:

-13.38

Dipole, Da:

7.96

IP(EA), eV:

 -7.81(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,6R,10S,11R,13R,14R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3

DOS

IR

Vibrations