Geometry & MOs

Info

ID:

443112

PubChem CID:

135257726

Reduced:

SN3O4F5H30C31 (1)

Stoich.:

AB3C4D5E30F31 (1)

Weight, g/mol:

656.161563

ΔHf, kcal/mol:

-322.53

Dipole, Da:

6.62

IP(EA), eV:

 -9.46(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC4=C(C=C3)C(=O)NC4)N(C)S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations