Geometry & MOs

Info

ID:

297236

PubChem CID:

117613697

Reduced:

SF2N3O6H29C32 (1)

Stoich.:

AB2C3D6E29F32 (1)

Weight, g/mol:

617.104383

ΔHf, kcal/mol:

-232.63

Dipole, Da:

6.0

IP(EA), eV:

 -9.2(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-5-[5-(3-methylsulfonylphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3-oxazole

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(C)(C)O)C5=CC6=C(C=C5)OC(O6)(F)F

DOS

IR

Vibrations