Geometry & MOs

Info

ID:	171957
PubChem CID:	75445373
Reduced:	SO3N4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	417.96546
ΔH_f, kcal/mol:	-25.97
Dipole, Da:	6.49
IP(EA), eV:	-9.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(6-bromo-8-chloroquinolin-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C(=CN=C1S(=O)(=O)CC2=NN(C=C2)C3=CC=CC=C3)CO

DOS

IR

Vibrations