Geometry & MOs

Info

ID:	371387
PubChem CID:	127346104
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	41.17
Dipole, Da:	4.01
IP(EA), eV:	-9.47(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2-morpholin-4-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2=CC=CC=C2C(=O)N3C4CCC3C5=CC=CC=C45

DOS

IR

Vibrations