Geometry & MOs

Info

ID:

396386

PubChem CID:

135028239

Reduced:

N2O5F6H18C22 (1)

Stoich.:

A2B5C6D18E22 (1)

Weight, g/mol:

504.111991

ΔHf, kcal/mol:

-454.34

Dipole, Da:

3.65

IP(EA), eV:

 -10.99(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,13S,14R)-1,11-bis(trifluoromethyl)-21-oxa-6,16-diazaoctacyclo[9.9.1.13,9.113,19.02,10.04,8.012,20.014,18]tricosane-5,7,15,17-tetrone

Drug info:

PubChemData

Smile

C1C2[C@@H]3C(C1C4[C@H]2C5([C@@H]6C7CC(C6C4(O5)C(F)(F)F)C8[C@H]7C(=O)NC8=O)C(F)(F)F)C(=O)NC3=O

DOS

IR

Vibrations