Geometry & MOs

Info

ID:

334308

PubChem CID:

127252860

Reduced:

SN3O4H21C28 (1)

Stoich.:

AB3C4D21E28 (1)

Weight, g/mol:

471.144865

ΔHf, kcal/mol:

-9.27

Dipole, Da:

4.51

IP(EA), eV:

 -8.2(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC5=CSC(=N5)C6=CN=CC=C6)OC

DOS

IR

Vibrations