Geometry & MOs

Info

ID:

297245

PubChem CID:

117614114

Reduced:

SN3O4F6H21C30 (1)

Stoich.:

AB3C4D6E21F30 (1)

Weight, g/mol:

707.052795

ΔHf, kcal/mol:

-316.44

Dipole, Da:

7.82

IP(EA), eV:

 -9.18(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)N3C=CC(=N3)C(F)(F)F)C4=C(OC(=N4)C5CC5)C6=CC=C(C=C6)OC(F)(F)F

DOS

IR

Vibrations