Geometry & MOs

Info

ID:

190398

PubChem CID:

77996517

Reduced:

F4N4O4H18C19 (1)

Stoich.:

A4B4C4D18E19 (1)

Weight, g/mol:

588.276452

ΔHf, kcal/mol:

-290.89

Dipole, Da:

3.42

IP(EA), eV:

 -9.04(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-fluoro-23-hydroxy-2,18,18,21-tetramethyl-6-[5-(phosphanylmethoxy)pent-2-ynyl]-17,19-dioxa-6,7-diazahexacyclo[11.10.0.02,10.04,8.014,21.016,20]tricosa-4,7,9-trien-20-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

C1CN(CC=C1C(=O)NC2=NC=C(C=C2)OC(F)(F)F)C3=C(C=C(C=N3)C(CO)O)F

DOS

IR

Vibrations