Geometry & MOs

Info

ID:

16926

PubChem CID:

480198

Reduced:

Cl2F2O2N6H20C23 (1)

Stoich.:

A2B2C2D6E20F23 (1)

Weight, g/mol:

520.099286

ΔHf, kcal/mol:

-64.39

Dipole, Da:

5.23

IP(EA), eV:

 -9.96(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-N-[(2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)N[C@@H](C)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O

DOS

IR

Vibrations