Geometry & MOs

Info

ID:	257048
PubChem CID:	103143316
Reduced:	BrNOSH12C17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	297.062363
ΔH_f, kcal/mol:	47.72
Dipole, Da:	5.71
IP(EA), eV:	-8.72(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)CSC3=CC=C(C=C3)Br

DOS

IR

Vibrations