Geometry & MOs

Info

ID:

57530

PubChem CID:

22405464

Reduced:

F3O4N7C22H22 (1)

Stoich.:

A3B4C7D22E22 (1)

Weight, g/mol:

542.198834

ΔHf, kcal/mol:

-193.39

Dipole, Da:

7.94

IP(EA), eV:

 -9.49(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenylpyridin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)N(C2=NNN=N2)C(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations