Geometry & MOs

Info

ID:

445426

PubChem CID:

135266998

Reduced:

SO3F7N9H32C38 (1)

Stoich.:

AB3C7D9E32F38 (1)

Weight, g/mol:

481.161326

ΔHf, kcal/mol:

-238.74

Dipole, Da:

7.57

IP(EA), eV:

 -7.86(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-3-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=CC=CC3=C2N(N=C3NS(=O)C4=CN(C=N4)C)C)C(CC5=CC(=CC(=C5)F)F)NC(=O)N6C7=C(CCC7(F)F)C(=N6)C(F)(F)F)O

DOS

IR

Vibrations