Geometry & MOs

Info

ID:

298638

PubChem CID:

117653229

Reduced:

O4N7C25H27 (1)

Stoich.:

A4B7C25D27 (1)

Weight, g/mol:

592.156549

ΔHf, kcal/mol:

-18.86

Dipole, Da:

6.36

IP(EA), eV:

 -9.82(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 7-(3-chlorophenyl)-6-(4-chlorophenyl)-5-[(2S)-1-[cyclopropylsulfonyl(methyl)amino]butan-2-yl]-4-oxo-5-azaspiro[2.5]octane-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](N([C@@H]1CC2=CN=C(C=C2)C(=O)N3C[C@@H]4[C@H](C3)C4N5C=NN=N5)C(=O)O)[C@@H](C6=CC=CC=C6)O

DOS

IR

Vibrations