Geometry & MOs

Info

ID:	83200
PubChem CID:	49857273
Reduced:	SN3O4H19C25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	427.135448
ΔH_f, kcal/mol:	10.01
Dipole, Da:	2.33
IP(EA), eV:	-9.07(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1-aminodibenzothiophen-4-yl)-2-morpholin-4-yl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)C3=C(N2)C(=CC=C3)C4=C5C(=C(C=C4)[N+](=O)[O-])C6=CC=CC=C6S5

DOS

IR

Vibrations