Geometry & MOs

Info

ID:

297234

PubChem CID:

117613693

Reduced:

SF3N4O6H25C32 (1)

Stoich.:

AB3C4D6E25F32 (1)

Weight, g/mol:

606.138462

ΔHf, kcal/mol:

-231.36

Dipole, Da:

6.34

IP(EA), eV:

 -9.43(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[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]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations