Geometry & MOs

Info

ID:

59229

PubChem CID:

24775794

Reduced:

NO2C25H33 (1)

Stoich.:

AB2C25D33 (1)

Weight, g/mol:

395.246044

ΔHf, kcal/mol:

-60.42

Dipole, Da:

4.44

IP(EA), eV:

 -9.1(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,6R,8R,11S,12S,15R,16S)-15-hydroxy-2,16-dimethyl-15-(pyridin-2-ylmethyl)-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one

Drug info:

PubChemData

Smile

C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=C\C4=CC=CC=N4)C[C@H]5[C@@]6([C@@]3(CC[C@@H](C6)O)C)O5

DOS

IR

Vibrations