Geometry & MOs

Info

ID:	404683
PubChem CID:	135069420
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	213.090212
ΔH_f, kcal/mol:	-71.1
Dipole, Da:	8.96
IP(EA), eV:	-9.6(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,12-dimethyl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)CC(CC2=O)C3=CC=CC=C3

DOS

IR

Vibrations