Geometry & MOs

Info

ID:

416010

PubChem CID:

135089015

Reduced:

SN3O3C17H23 (1)

Stoich.:

AB3C3D17E23 (1)

Weight, g/mol:

550.27261

ΔHf, kcal/mol:

-75.78

Dipole, Da:

0.83

IP(EA), eV:

 -8.95(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-11-benzyl-21-methyl-17-(2-methylsulfanylethyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.3.1.16,9]pentacosa-1(24),7,9(25),20,22-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)CO

DOS

IR

Vibrations