Geometry & MOs

Info

ID:

443137

PubChem CID:

135257822

Reduced:

SN3F5O5H26C29 (1)

Stoich.:

AB3C5D5E26F29 (1)

Weight, g/mol:

670.177213

ΔHf, kcal/mol:

-335.56

Dipole, Da:

6.09

IP(EA), eV:

 -9.6(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CN=C(C=C2)CN(C3=CC=C(C=C3)C(=O)O)C(=O)[C@H]4CCN4S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations