Geometry & MOs

Info

ID:	73715
PubChem CID:	48420077
Reduced:	FSN2O2H11C19 (1)
Stoich.:	ABC2D2E11F19 (1)
Weight, g/mol:	370.131742
ΔH_f, kcal/mol:	-4.95
Dipole, Da:	4.13
IP(EA), eV:	-9.09(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-7-yl 1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=CS2)C(=O)OC3=CC4=C(C=C3)C=CN=C4)F

DOS

IR

Vibrations