Geometry & MOs

Info

ID:

434825

PubChem CID:

135175785

Reduced:

ClN2O4F6H19C26 (1)

Stoich.:

AB2C4D6E19F26 (1)

Weight, g/mol:

512.097089

ΔHf, kcal/mol:

-401.05

Dipole, Da:

9.94

IP(EA), eV:

 -9.62(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-2-[6-(trifluoromethyl)pyridin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CCC(C1=NC=C(C=C1)C2=C(C=C(C=C2Cl)NC(=O)C3(CC3)C4=C(C=C(C=C4)OC(F)(F)F)F)C(=O)O)(F)F

DOS

IR

Vibrations