Geometry & MOs

Info

ID:	82366
PubChem CID:	49855946
Reduced:	SO3N4C34H36 (1)
Stoich.:	AB3C4D34E36 (1)
Weight, g/mol:	596.245727
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	11.67
IP(EA), eV:	-8.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-yl-4-oxo-1H-quinolin-8-yl)dibenzothiophen-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCC(=O)NC2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CC6=C5NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations