Geometry & MOs

Info

ID:

443061

PubChem CID:

135257590

Reduced:

SN2F5O6H27C30 (1)

Stoich.:

AB2C5D6E27F30 (1)

Weight, g/mol:

578.166255

ΔHf, kcal/mol:

-413.26

Dipole, Da:

9.09

IP(EA), eV:

 -9.37(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4-cyclohexylphenyl)methyl-[2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfanylamino]acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)O)O)C(=O)[C@H]4CCCN4S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations