Geometry & MOs

Info

ID:	69395
PubChem CID:	47169875
Reduced:	O3S3N4C8H8 (1)
Stoich.:	A3B3C4D8E8 (1)
Weight, g/mol:	347.9665
ΔH_f, kcal/mol:	-23.4
Dipole, Da:	4.15
IP(EA), eV:	-9.5(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(6-chloroquinolin-8-yl)methyl]pyridin-2-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)S(=O)(=O)NCC(=O)NC2=NN=CS2

DOS

IR

Vibrations