Geometry & MOs

Info

ID:

440134

PubChem CID:

135230034

Reduced:

OSN2H42C55 (1)

Stoich.:

ABC2D42E55 (1)

Weight, g/mol:

406.079884

ΔHf, kcal/mol:

244.15

Dipole, Da:

0.95

IP(EA), eV:

 -7.06(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,6-difluoro-4-[2-(5-methyl-1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=C(C=C2)N3C4=CC=CC=C4S(C5=CC=CC=C53)(C6=CC=CC=C6)C7=CC=CC=C7)(C8=CC=CC=C8N(C9=CC=CC=C9)C1=CC=CC=C1)O

DOS

IR

Vibrations