Geometry & MOs

Info

ID:	926
PubChem CID:	3542
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-31.61
Dipole, Da:	5.07
IP(EA), eV:	-8.89(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylpiperazin-1-yl)sulfonylisoquinoline

Drug info:

PubChemData

Smile

CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3

DOS

IR

Vibrations