Geometry & MOs

Info

ID:

59228

PubChem CID:

24775793

Reduced:

NO3C27H35 (1)

Stoich.:

AB3C27D35 (1)

Weight, g/mol:

379.251129

ΔHf, kcal/mol:

-88.77

Dipole, Da:

3.92

IP(EA), eV:

 -8.8(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5S,7R,9S,11S,12S,15E,16S)-2,16-dimethyl-15-(pyridin-2-ylmethylidene)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]\4([C@H]([C@@H]3CC=C2C1)CC/C4=C\C5=CC=CC=[N+]5[O-])C)C

DOS

IR

Vibrations