Geometry & MOs

Info

ID:

435649

PubChem CID:

135192058

Reduced:

FPN3O8C30H33 (1)

Stoich.:

ABC3D8E30F33 (1)

Weight, g/mol:

578.279215

ΔHf, kcal/mol:

-365.49

Dipole, Da:

4.22

IP(EA), eV:

 -8.49(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(5-fluoro-2-methylphenoxy)methyl]-7-[4-(5-hydroxy-2-methyl-4-oxohexoxy)-2-methoxyphenyl]-1,3,3-trimethyl-4H-quinoxalin-2-one

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(CC#N)OP(=O)(O)O)OC

DOS

IR

Vibrations