Geometry & MOs

Info

ID:	928
PubChem CID:	3544
Reduced:	SO2N3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	251.072848
ΔH_f, kcal/mol:	-21.32
Dipole, Da:	7.15
IP(EA), eV:	-9.78(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)isoquinoline-5-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations