Geometry & MOs

Info

ID:	83199
PubChem CID:	49857272
Reduced:	SN4O4H18C24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	457.109627
ΔH_f, kcal/mol:	17.29
Dipole, Da:	2.49
IP(EA), eV:	-8.9(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N3C=CC=C(C3=N2)C4=C5C(=C(C=C4)[N+](=O)[O-])C6=CC=CC=C6S5

DOS

IR

Vibrations