Geometry & MOs

Info

ID:

227997

PubChem CID:

87563201

Reduced:

SN3O4H8C13 (2)

Stoich.:

AB3C4D8E13 (2)

Weight, g/mol:

296.155849

ΔHf, kcal/mol:

143.18

Dipole, Da:

4.3

IP(EA), eV:

 -8.68(-2.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(NE)-2-methyl-N-[(3-oxo-2-prop-2-enyl-2-azabicyclo[2.2.2]octan-1-yl)methylidene]propane-2-sulfinamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])SSC3=CC=C(C=C3)N=CC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations