Geometry & MOs

Info

ID:

297235

PubChem CID:

117613696

Reduced:

SF2N4O6H24C30 (1)

Stoich.:

AB2C4D6E24F30 (1)

Weight, g/mol:

621.174513

ΔHf, kcal/mol:

-210.87

Dipole, Da:

8.3

IP(EA), eV:

 -9.28(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[2-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-5-yl]-4-(3-methylsulfonylphenyl)phenyl]-1-methylpyrazol-3-yl]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2=C(C=CC(=C2)C3=CC(=CC=C3)S(=O)(=O)C)C4=CC(=NN4C)CC(=O)N)C5=CC6=C(C=C5)OC(O6)(F)F

DOS

IR

Vibrations