Geometry & MOs

Info

ID:

308312

PubChem CID:

125326099

Reduced:

NO2F3H8C11 (1)

Stoich.:

AB2C3D8E11 (1)

Weight, g/mol:

433.175004

ΔHf, kcal/mol:

-175.96

Dipole, Da:

3.84

IP(EA), eV:

 -9.94(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9S,14E)-11-hydroxy-14-(4H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione

Drug info:

PubChemData

Smile

COC(=O)C1=C2C=CC=C(C2=NC1)C(F)(F)F

DOS

IR

Vibrations