Geometry & MOs

Info

ID:	59427
PubChem CID:	24862046
Reduced:	BrClOS2N5H17C24 (1)
Stoich.:	ABCD2E5F17G24 (1)
Weight, g/mol:	365.972961
ΔH_f, kcal/mol:	133.42
Dipole, Da:	2.49
IP(EA), eV:	-8.13(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC4=NNC(=S)N4N5C(C(C5=O)Cl)C6=CC(=CC=C6)Br

DOS

IR

Vibrations