Geometry & MOs

Info

ID:	59097
PubChem CID:	24770918
Reduced:	ClSO2N3C16H20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	337.126026
ΔH_f, kcal/mol:	-31.99
Dipole, Da:	5.44
IP(EA), eV:	-8.88(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-[[(2S)-2-methyl-1,4-diazocan-1-yl]sulfonyl]isoquinoline

Drug info:

PubChemData

Smile

C[C@H]1CNCCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)Cl

DOS

IR

Vibrations