Geometry & MOs

Info

ID:

159562

PubChem CID:

57288459

Reduced:

ClNSO3C13H17 (1)

Stoich.:

ABCD3E13F17 (1)

Weight, g/mol:

303.069592

ΔHf, kcal/mol:

-82.53

Dipole, Da:

3.09

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.869046

Charge, e:

 0

Chem-info

IUPAC name:

(6-chloro-3,3-diethyl-2,4-dihydroquinolin-1-yl) hydrogen sulfite

Drug info:

PubChemData

Smile

CCC1(CC2=C(C=CC(=C2)Cl)N(C1)OS(=O)[O-])CC

DOS

IR

Vibrations