Geometry & MOs

Info

ID:

233087

PubChem CID:

87692398

Reduced:

OF6N8C25H26 (1)

Stoich.:

AB6C8D25E26 (1)

Weight, g/mol:

1133.168674

ΔHf, kcal/mol:

-241.48

Dipole, Da:

3.87

IP(EA), eV:

 -8.83(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(3-amino-5-methylphenyl)methoxy]-3,5-dichlorobenzoyl]amino]acetic acid;2-[4-[(3-amino-5-methylphenyl)methoxy]-3,5-dichlorophenyl]acetic acid;2-[[3,5-dichloro-4-[[3-(ethylamino)-5-methylphenyl]methoxy]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CNC1=C(C=CC(=N1)NC2C3=CCN(CCC3=NC(=N2)N4CCOCC4)C5=C(C=CC=N5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations