Geometry & MOs

Info

ID:	407202
PubChem CID:	135079555
Reduced:	NSBr2O4H5C8 (1)
Stoich.:	ABC2D4E5F8 (1)
Weight, g/mol:	249.045964
ΔH_f, kcal/mol:	-83.43
Dipole, Da:	4.42
IP(EA), eV:	-9.57(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-methoxy-2-sulfanyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1/C(=N\O)/C2=C(C(=CC(=C2)Br)Br)OS1(=O)=O

DOS

IR

Vibrations