Geometry & MOs

Info

ID:

188417

PubChem CID:

77714667

Reduced:

FO2N3C14H19 (2)

Stoich.:

AB2C3D14E19 (2)

Weight, g/mol:

567.266854

ΔHf, kcal/mol:

-215.78

Dipole, Da:

3.65

IP(EA), eV:

 -9.35(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methyl-N-[3-methyl-1-oxo-1-[[1-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)pyrrolidine-2-carbonyl]amino]butan-2-yl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1C(CC2=CC(=CC(=C2)F)F)C(CCC3CNNN3)O)C(=O)N)C(=O)N

DOS

IR

Vibrations