Geometry & MOs

Info

ID:

327637

PubChem CID:

126690582

Reduced:

F3N4O5H37C42 (1)

Stoich.:

A3B4C5D37E42 (1)

Weight, g/mol:

435.093858

ΔHf, kcal/mol:

-234.49

Dipole, Da:

8.85

IP(EA), eV:

 -8.28(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-1-hydroxy-6-methylpyridin-1-ium-3-yl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)N=C/C(=C\N)/C3=CC=C(C=C3)CN(CC(=O)O)C(=O)C4=CC=C(C=C4)NC(=O)CC5=C(C=C(C=C5)OC)C(F)(F)F

DOS

IR

Vibrations