Geometry & MOs

Info

ID:

144331

PubChem CID:

53351190

Reduced:

SCl3O3N4C18H20 (1)

Stoich.:

AB3C3D4E18F20 (1)

Weight, g/mol:

242.106015

ΔHf, kcal/mol:

-42.76

Dipole, Da:

6.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.876792

Charge, e:

 -1

Chem-info

IUPAC name:

6-amino-N-pyridin-4-ylhexanamide;chloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)Cl.[Cl-]

DOS

IR

Vibrations