Geometry & MOs

Info

ID:

443063

PubChem CID:

135257592

Reduced:

SN2F5O7H25C29 (1)

Stoich.:

AB2C5D7E25F29 (1)

Weight, g/mol:

640.166649

ΔHf, kcal/mol:

-443.16

Dipole, Da:

8.44

IP(EA), eV:

 -9.65(-2.12)

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]benzoic acid

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)S(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)C(=O)N(CC3=CC=C(C=C3)C4CCOC4)C5=CC(=C(C=C5)C(=O)O)O

DOS

IR

Vibrations