Geometry & MOs

Info

ID:

434828

PubChem CID:

135175797

Reduced:

ClFN3O3H21C24 (1)

Stoich.:

ABC3D3E21F24 (1)

Weight, g/mol:

523.153047

ΔHf, kcal/mol:

-72.94

Dipole, Da:

7.73

IP(EA), eV:

 -8.84(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(Z)-1-amino-3-(cyclopropylmethylimino)prop-1-en-2-yl]-3-fluoro-5-[[1-[2-fluoro-4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1CC(C1)N2C=C(C=N2)C3=C(C=C(C=C3)NC(=O)C4(CC4)C5=C(C=C(C=C5)F)Cl)C(=O)O

DOS

IR

Vibrations