Geometry & MOs

Info

ID:

417444

PubChem CID:

135094475

Reduced:

FSN3O4C18H24 (1)

Stoich.:

ABC3D4E18F24 (1)

Weight, g/mol:

532.246789

ΔHf, kcal/mol:

-208.81

Dipole, Da:

6.5

IP(EA), eV:

 -9.24(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-11-(2-methoxyacetyl)-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

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)CN(C3=CC(=CC=C3)F)S(=O)(=O)C

DOS

IR

Vibrations