Geometry & MOs

Info

ID:

192754

PubChem CID:

78308735

Reduced:

ClSN2F3O4C23H30 (1)

Stoich.:

ABC2D3E4F23G30 (1)

Weight, g/mol:

518.200607

ΔHf, kcal/mol:

-343.65

Dipole, Da:

5.0

IP(EA), eV:

 -9.79(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-N-[(6-methoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-4-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1CCC2C(C1)CC(C(=O)N2)CN(C3CCCC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations