Geometry & MOs

Info

ID:

297238

PubChem CID:

117613734

Reduced:

OF6N7H13C18 (1)

Stoich.:

AB6C7D13E18 (1)

Weight, g/mol:

651.126261

ΔHf, kcal/mol:

-201.56

Dipole, Da:

5.71

IP(EA), eV:

 -9.58(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(CN1C=NC(=N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)NNC3=NC=CN=C3

DOS

IR

Vibrations