Geometry & MOs

Info

ID:

174747

PubChem CID:

75809630

Reduced:

SO2N3C18H30 (1)

Stoich.:

AB2C3D18E30 (1)

Weight, g/mol:

351.120095

ΔHf, kcal/mol:

-68.76

Dipole, Da:

4.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.960541

Charge, e:

 1

Chem-info

IUPAC name:

N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCCCC1=NC(=CS1)C[NH+]2CCCC(C2)C(=O)N3CCOCC3

DOS

IR

Vibrations