Geometry & MOs

Info

ID:

127696

PubChem CID:

51011713

Reduced:

SO2N3C17H19 (1)

Stoich.:

AB2C3D17E19 (1)

Weight, g/mol:

699.355988

ΔHf, kcal/mol:

-13.75

Dipole, Da:

5.54

IP(EA), eV:

 -9.25(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2'R,5R,6'R,13'S)-3-[(2,4-dimethoxyphenyl)methyl]-13'-hydroxy-6',10'-dimethyl-17'-(2-phenylbenzoyl)spiro[1,3-oxazolidine-5,5'-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraene]-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CN=C(S2)C(=O)N[C@@H]3C[C@@H]4CC[C@H]3N4

DOS

IR

Vibrations