Geometry & MOs

Info

ID:

387343

PubChem CID:

134985016

Reduced:

SN2O5C15H20 (1)

Stoich.:

AB2C5D15E20 (1)

Weight, g/mol:

503.9871

ΔHf, kcal/mol:

-117.01

Dipole, Da:

3.72

IP(EA), eV:

 -8.79(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,8R,9R,10S)-10-bromo-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-[[(1S,8R,9R,10S)-10-bromo-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-oxidoamino]-oxoazanium

Drug info:

PubChemData

Smile

CC(C(=O)C(CCSC)NC(=O)OCC1=CC=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations