Geometry & MOs

Info

ID:	73714
PubChem CID:	48420075
Reduced:	NO2H7C9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	350.052527
ΔH_f, kcal/mol:	-79.25
Dipole, Da:	6.27
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-7-yl 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CN=C2)OC(=O)COC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations