Geometry & MOs

Info

ID:

144333

PubChem CID:

53351387

Reduced:

SCl3N3C15H15 (1)

Stoich.:

AB3C3D15E15 (1)

Weight, g/mol:

248.030073

ΔHf, kcal/mol:

72.85

Dipole, Da:

2.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.991914

Charge, e:

 -1

Chem-info

IUPAC name:

1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine;chloride

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=C(C(=N2)C)CC=C(Cl)Cl)SC(=N)N.[Cl-]

DOS

IR

Vibrations