Geometry & MOs

Info

ID:

443107

PubChem CID:

135257721

Reduced:

SO2N3F5H28C30 (1)

Stoich.:

AB2C3D5E28F30 (1)

Weight, g/mol:

624.171734

ΔHf, kcal/mol:

-238.24

Dipole, Da:

4.09

IP(EA), eV:

 -9.21(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC4=C(C=C3)C(=O)NC4)SC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations