Geometry & MOs

Info

ID:	82204
PubChem CID:	49855756
Reduced:	SO3N4C33H34 (1)
Stoich.:	AB3C4D33E34 (1)
Weight, g/mol:	582.230077
ΔH_f, kcal/mol:	-48.5
Dipole, Da:	9.68
IP(EA), eV:	-8.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-morpholin-4-yl-4-oxo-1H-quinolin-8-yl)dibenzothiophen-1-yl]-3-(oxolan-2-ylmethylamino)propanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCC(=O)NC2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CC6=C5NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations