Geometry & MOs

Info

ID:

443133

PubChem CID:

135257802

Reduced:

SO3N4F6C30H30 (1)

Stoich.:

AB3C4D6E30F30 (1)

Weight, g/mol:

594.188802

ΔHf, kcal/mol:

-312.07

Dipole, Da:

6.7

IP(EA), eV:

 -9.21(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-amino-2-fluoro-4-methanimidoylphenyl)-N-[(4-cyclohexylphenyl)methyl]-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfanylamino]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=C(C=C(C(=C3)N)C=N)F)N(C)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations