Geometry & MOs

Info

ID:

132406

PubChem CID:

51359293

Reduced:

ClN2S2O6H33C34 (1)

Stoich.:

AB2C2D6E33F34 (1)

Weight, g/mol:

664.206565

ΔHf, kcal/mol:

-147.49

Dipole, Da:

2.55

IP(EA), eV:

 -8.89(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4aR,7S,8aS)-1,6-bis-(4-methylphenyl)sulfonyl-7-naphthalen-1-yl-2-phenyl-3,4a,5,7,8,8a-hexahydro-2H-1,6-naphthyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3[C@H](C[C@H]2C4=CC(=CC=C4)Cl)N([C@@H](CC3=O)C5=CC=C(C=C5)OC)S(=O)(=O)C6=CC=CC=C6

DOS

IR

Vibrations