Geometry & MOs

Info

ID:	396607
PubChem CID:	135028837
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	503.185198
ΔH_f, kcal/mol:	69.37
Dipole, Da:	3.17
IP(EA), eV:	-9.45(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S,4E,5R,6R,7S)-4-ethylidene-2-(4-nitrophenyl)sulfonyl-8-oxo-7-prop-2-enyl-2-azabicyclo[3.3.1]nonan-6-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C=CC1=CC(CC1)OCC(=C)N=[N+]=[N-]

DOS

IR

Vibrations