Geometry & MOs

Info

ID:

435194

PubChem CID:

135183872

Reduced:

FN2O8C33H37 (1)

Stoich.:

AB2C8D33E37 (1)

Weight, g/mol:

588.203681

ΔHf, kcal/mol:

-344.07

Dipole, Da:

7.17

IP(EA), eV:

 -8.31(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[4-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]-3-methoxyphenoxy]-3-hydroxypropan-2-yl]phosphonic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)OCC2=C(C=CC3=C2N(C(=O)C(N3)(C)C)C)C4=C(C=C(C=C4)OCC(C)OC(=O)CCC(=O)O)OC

DOS

IR

Vibrations