Geometry & MOs

Info

ID:

419798

PubChem CID:

135109071

Reduced:

NO3F4C17H21 (1)

Stoich.:

AB3C4D17E21 (1)

Weight, g/mol:

541.224909

ΔHf, kcal/mol:

-337.41

Dipole, Da:

4.17

IP(EA), eV:

 -9.26(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-20-(3,5-difluoropyridine-2-carbonyl)-8,14-dimethyl-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

CCC[C@@]1(CCN(C[C@@H]1O)CC2=CC(=C(C=C2)F)C(F)(F)F)C(=O)O

DOS

IR

Vibrations