Geometry & MOs

Info

ID:

297240

PubChem CID:

117613738

Reduced:

SF3N3O5H26C30 (1)

Stoich.:

AB3C3D5E26F30 (1)

Weight, g/mol:

673.091767

ΔHf, kcal/mol:

-240.96

Dipole, Da:

2.34

IP(EA), eV:

 -9.13(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[5-[4-(difluoromethoxy)-3,5-difluorophenyl]-2-methyl-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2=CC=C(C=C2)OC(F)(F)F)C3=C(C=CC(=C3)C4=CC(=CC=C4)S(=O)(=O)C)N5C=CC(=N5)C(C)(C)O

DOS

IR

Vibrations