Geometry & MOs

Info

ID:

443099

PubChem CID:

135257685

Reduced:

SN2F5O6H41C45 (1)

Stoich.:

AB2C5D6E41F45 (1)

Weight, g/mol:

658.132762

ΔHf, kcal/mol:

-332.21

Dipole, Da:

3.6

IP(EA), eV:

 -9.13(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1(CC1)C(=O)N(CC2=CC=C(C=C2)C3CCCCC3)C4=CC(=C(C=C4)C(=O)OCC5=CC=CC=C5)OCC6=CC=CC=C6)S(=O)(=O)C7=C(C(=C(C(=C7F)F)F)F)F

DOS

IR

Vibrations