Geometry & MOs

Info

ID:

297233

PubChem CID:

117613666

Reduced:

O2N4C25H28 (1)

Stoich.:

A2B4C25D28 (1)

Weight, g/mol:

650.14469

ΔHf, kcal/mol:

6.07

Dipole, Da:

5.75

IP(EA), eV:

 -8.98(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-5-yl]-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]-1-methylpyrazol-3-yl]propanenitrile

Drug info:

PubChemData

Smile

C/C=C/1\C(=C)N=C(O1)NC2=NC3(CCCCC3)C4=C(N2)CC(CC4=O)C5=CC=CC=C5

DOS

IR

Vibrations