Geometry & MOs

Info

ID:

443089

PubChem CID:

135257661

Reduced:

N2F5O5H41C46 (1)

Stoich.:

A2B5C5D41E46 (1)

Weight, g/mol:

593.177154

ΔHf, kcal/mol:

-319.53

Dipole, Da:

7.89

IP(EA), eV:

 -9.22(-1.29)

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]acetyl]amino]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)[C@H]6CCCN6C(=O)C7=C(C(=C(C(=C7F)F)F)F)F

DOS

IR

Vibrations