Geometry & MOs

Info

ID:

189910

PubChem CID:

77922176

Reduced:

NB2O2C32H33 (1)

Stoich.:

AB2C2D32E33 (1)

Weight, g/mol:

517.195917

ΔHf, kcal/mol:

-73.63

Dipole, Da:

4.53

IP(EA), eV:

 -8.94(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[6-[[3,5-bis(fluoromethyl)pyrazol-1-yl]methyl]-2-methylpyridin-3-yl]-3-methyl-2-N-(1-methylsulfinylpropan-2-yl)benzene-1,2-dicarboxamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)C=C(B(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations