Geometry & MOs

Info

ID:

443059

PubChem CID:

135257577

Reduced:

SN3F5O6H26C28 (1)

Stoich.:

AB3C5D6E26F28 (1)

Weight, g/mol:

622.192469

ΔHf, kcal/mol:

-402.73

Dipole, Da:

5.25

IP(EA), eV:

 -9.37(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)N(CC2=NC=C(C=C2)C3CCCCC3)C(=O)CNS(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F)O

DOS

IR

Vibrations