Geometry & MOs

Info

ID:	184560
PubChem CID:	77175151
Reduced:	ClSO3N4C14H15 (1)
Stoich.:	ABC3D4E14F15 (1)
Weight, g/mol:	259.084458
ΔH_f, kcal/mol:	-58.74
Dipole, Da:	5.22
IP(EA), eV:	-8.75(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 1,4-dioxoisoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C2=CC(=C3N2NC(=O)NC3)Cl)S(=O)(=O)C

DOS

IR

Vibrations