Geometry & MOs

Info

ID:

419870

PubChem CID:

135109456

Reduced:

FSN2O5C15H21 (1)

Stoich.:

ABC2D5E15F21 (1)

Weight, g/mol:

553.301267

ΔHf, kcal/mol:

-227.05

Dipole, Da:

2.57

IP(EA), eV:

 -9.22(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-8,14-dimethyl-20-[4-(2-oxopyrrolidin-1-yl)butanoyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations