Geometry & MOs

Info

ID:	255691
PubChem CID:	103134028
Reduced:	BrFNOH9C16 (1)
Stoich.:	ABCDE9F16 (1)
Weight, g/mol:	241.030983
ΔH_f, kcal/mol:	4.96
Dipole, Da:	5.61
IP(EA), eV:	-9.55(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl(1,2,5-thiadiazol-3-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations