Geometry & MOs

Info

ID:

424464

PubChem CID:

135122774

Reduced:

ClO3F6N6H23C24 (1)

Stoich.:

AB3C6D6E23F24 (1)

Weight, g/mol:

472.076132

ΔHf, kcal/mol:

-380.32

Dipole, Da:

4.79

IP(EA), eV:

 -8.87(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenoxy]pyridin-2-yl]oxyacetate

Drug info:

PubChemData

Smile

CNC(=O)COC1=CC2=C(C=CC(=C2)NC3=NC(=NC=C3Cl)N4C[C@@H](C[C@H](C4)C(F)(F)F)C(F)(F)F)N(C1=O)C

DOS

IR

Vibrations