Geometry & MOs

Info

ID:

443102

PubChem CID:

135257710

Reduced:

SN2F5O5H37C38 (1)

Stoich.:

AB2C5D5E37F38 (1)

Weight, g/mol:

638.187384

ΔHf, kcal/mol:

-353.21

Dipole, Da:

7.37

IP(EA), eV:

 -9.47(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OCC2=CC=CC=C2)N(CC3=CC=C(C=C3)C4CCCCC4)C(=O)[C@@H](C)N(C)S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations