Geometry & MOs

Info

ID:

226605

PubChem CID:

87544355

Reduced:

N5O5F6C32H37 (1)

Stoich.:

A5B5C6D32E37 (1)

Weight, g/mol:

227.094629

ΔHf, kcal/mol:

-479.92

Dipole, Da:

12.2

IP(EA), eV:

 -8.81(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S,13R)-14,14-dimethyl-12,15-dioxa-7-azatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,4,6,8-pentaene

Drug info:

PubChemData

Smile

C/C=C/C1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)N2CC(N(CC2C)C(=O)CN3C(=O)[C@@](NC3=O)(C)C4=NC=C(C=C4)OC(C)C)C

DOS

IR

Vibrations