Geometry & MOs

Info

ID:

443122

PubChem CID:

135257772

Reduced:

SN3O3F6H23C27 (1)

Stoich.:

AB3C3D6E23F27 (1)

Weight, g/mol:

684.156478

ΔHf, kcal/mol:

-314.71

Dipole, Da:

4.74

IP(EA), eV:

 -9.44(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(2R)-3-carboxy-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanoyl]-[(4-cyclohexylphenyl)methyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CN=C(C=C2)CN(C3=C(C=C(C=C3)C(=O)O)F)C(=O)CNSC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations