Geometry & MOs

Info

ID:

226519

PubChem CID:

87457743

Reduced:

H8F12C27 (1)

Stoich.:

A8B12C27 (1)

Weight, g/mol:

646.216079

ΔHf, kcal/mol:

-451.38

Dipole, Da:

1.61

IP(EA), eV:

 -9.15(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridin-2-yl]-2,2,2-trifluoro-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C(=CC=C(C3=C2C4=C(C(=C(C(=C4F)F)C(F)(F)F)F)F)F)F)C5=CC(=C(C(=C5)F)F)F

DOS

IR

Vibrations