Geometry & MOs

Info

ID:	355795
PubChem CID:	127290647
Reduced:	NSO2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	371.141596
ΔH_f, kcal/mol:	-95.89
Dipole, Da:	0.84
IP(EA), eV:	-9.4(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]sulfonylisoquinoline

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations