Geometry & MOs

Info

ID:	930
PubChem CID:	3546
Reduced:	SO2N5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	293.094646
ΔH_f, kcal/mol:	-6.92
Dipole, Da:	5.86
IP(EA), eV:	-9.58(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N

DOS

IR

Vibrations