Geometry & MOs

Info

ID:	375681
PubChem CID:	134220771
Reduced:	BrClNSO2H17C19 (1)
Stoich.:	ABCDE2F17G19 (1)
Weight, g/mol:	414.92807
ΔH_f, kcal/mol:	-26.24
Dipole, Da:	1.97
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-8-bromo-5-chloro-2-[(Z)-4-hydroxy-3-oxobut-1-enyl]sulfanyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(=O)/C(=C(/NC)\SCC1=CC=CC=C1)/C(=O)C2=C(C=CC(=C2)Br)Cl

DOS

IR

Vibrations