Geometry & MOs

Info

ID:

387506

PubChem CID:

134985620

Reduced:

N2O5C11H14 (1)

Stoich.:

A2B5C11D14 (1)

Weight, g/mol:

608.20061

ΔHf, kcal/mol:

-45.28

Dipole, Da:

5.03

IP(EA), eV:

 -8.69(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,4aS,6S,7R,8S,8aS)-6-methoxy-2-phenyl-8-phenylmethoxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] 2-methyl-2-nitro-3-(4-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

CC(C(C1=CC(=C(C=C1)OC)OC)N=O)[N+](=O)[O-]

DOS

IR

Vibrations