Geometry & MOs

Info

ID:

434794

PubChem CID:

135175715

Reduced:

ClF2N3O6C40H46 (1)

Stoich.:

AB2C3D6E40F46 (1)

Weight, g/mol:

489.167554

ΔHf, kcal/mol:

-339.56

Dipole, Da:

8.53

IP(EA), eV:

 -9.4(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-2-(1-propan-2-ylpyrazol-4-yl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)(F)F)NC(=O)C(=O)C4=CC=C(C=C4)OCC5CCCCC5

DOS

IR

Vibrations