Geometry & MOs

Info

ID:	384261
PubChem CID:	134976645
Reduced:	SN2O5H22C29 (1)
Stoich.:	AB2C5D22E29 (1)
Weight, g/mol:	287.131014
ΔH_f, kcal/mol:	-31.11
Dipole, Da:	3.37
IP(EA), eV:	-8.22(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-diphenyl-7-azabicyclo[4.2.1]nona-3,7-dien-9-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C(=CC=CN3C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C#N)OC

DOS

IR

Vibrations