Geometry & MOs

Info

ID:

297239

PubChem CID:

117613736

Reduced:

SN3O5F6H23C30 (1)

Stoich.:

AB3C5D6E23F30 (1)

Weight, g/mol:

597.154527

ΔHf, kcal/mol:

-386.51

Dipole, Da:

7.14

IP(EA), eV:

 -9.18(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[4-(3-methylsulfonylphenyl)-2-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]pyrazol-3-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(F)(F)F)C2=C(C=C(C=C2)C3=CC(=C(C(=C3)S(=O)(=O)C)CO)F)C4=C(OC(=N4)C)C5=CC=C(C=C5)OC(F)F

DOS

IR

Vibrations