Geometry & MOs

Info

ID:

394026

PubChem CID:

135022188

Reduced:

N2O4C15H23 (1)

Stoich.:

A2B4C15D23 (1)

Weight, g/mol:

384.23006

ΔHf, kcal/mol:

-127.62

Dipole, Da:

4.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.788826

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,7R,10R,11R,12R,16S)-8,11-dicyclopropyl-5,5,14,14-tetramethyl-4,6,13,15-tetraoxapentacyclo[9.5.2.02,10.03,7.012,16]octadeca-8,17-diene

Drug info:

PubChemData

Smile

CC1([C@@H]2C[C@@H](C[C@@H]2C[C@H]1/C(=C(\C(=O)OC)/[N+]#N)/O)OC)C

DOS

IR

Vibrations