Geometry & MOs

Info

ID:	375705
PubChem CID:	134220876
Reduced:	BrClNSO3H17C20 (1)
Stoich.:	ABCDE3F17G20 (1)
Weight, g/mol:	477.01649
ΔH_f, kcal/mol:	-52.03
Dipole, Da:	5.03
IP(EA), eV:	-9.09(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-8-bromo-2-[(4-tert-butylphenyl)methylsulfanyl]-5-chloro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(NC2=C(C=CC(=C2C1=O)Cl)Br)SCC3=CC=CC(C=C3)OC

DOS

IR

Vibrations