Geometry & MOs

Info

ID:	227010
PubChem CID:	87559594
Reduced:	NBr3O5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	418.119858
ΔH_f, kcal/mol:	-75.07
Dipole, Da:	4.02
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylsulfonyloxy-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C=C(Br)Br)Br)OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC

DOS

IR

Vibrations