Geometry & MOs

Info

ID:

57533

PubChem CID:

22405472

Reduced:

F3N5O5C24H24 (1)

Stoich.:

A3B5C5D24E24 (1)

Weight, g/mol:

531.172953

ΔHf, kcal/mol:

-284.26

Dipole, Da:

6.05

IP(EA), eV:

 -9.5(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[[(Z)-(1-hydroxypyridin-2-ylidene)carbamoyl]amino]-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=CN=CN2)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations