Geometry & MOs

Info

ID:

132405

PubChem CID:

51358978

Reduced:

N2S2O5C30H30 (1)

Stoich.:

A2B2C5D30E30 (1)

Weight, g/mol:

664.146857

ΔHf, kcal/mol:

-123.26

Dipole, Da:

6.88

IP(EA), eV:

 -8.95(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4aR,7S,8aS)-1-(benzenesulfonyl)-7-(3-chlorophenyl)-2-(4-methoxyphenyl)-6-(4-methylphenyl)sulfonyl-3,4a,5,7,8,8a-hexahydro-2H-1,6-naphthyridin-4-one

Drug info:

PubChemData

Smile

CCOC1=C2CN([C@@H](C[C@H]2[C@@H]3[C@H](C1)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CS5)S(=O)(=O)C6=CC=C(C=C6)C

DOS

IR

Vibrations