Geometry & MOs

Info

ID:	384024
PubChem CID:	134976188
Reduced:	SN2O4H20C28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	315.162314
ΔH_f, kcal/mol:	0.98
Dipole, Da:	6.76
IP(EA), eV:	-8.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-1,8-diphenyl-7-azabicyclo[4.2.1]nona-3,7-dien-9-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations