Geometry & MOs

Info

ID:

421362

PubChem CID:

135115864

Reduced:

ClFNOC17H23 (1)

Stoich.:

ABCDE17F23 (1)

Weight, g/mol:

579.262774

ΔHf, kcal/mol:

-92.96

Dipole, Da:

2.51

IP(EA), eV:

 -8.97(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-21-methyl-17-(2-methylsulfanylethyl)-11-(2-pyridin-3-ylacetyl)-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

CO[C@@H]1CCC[C@]12CCCN(C2)CC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations