Geometry & MOs

Info

ID:

443148

PubChem CID:

135257845

Reduced:

SN2F5O6C31H31 (1)

Stoich.:

AB2C5D6E31F31 (1)

Weight, g/mol:

622.192469

ΔHf, kcal/mol:

-419.27

Dipole, Da:

7.02

IP(EA), eV:

 -9.39(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)O)O)N(C)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations