Geometry & MOs

Info

ID:

443072

PubChem CID:

135257601

Reduced:

SN3F5O6C30H30 (1)

Stoich.:

AB3C5D6E30F30 (1)

Weight, g/mol:

594.161169

ΔHf, kcal/mol:

-409.7

Dipole, Da:

7.05

IP(EA), eV:

 -9.61(-1.92)

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]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations