Geometry & MOs

Info

ID:

443087

PubChem CID:

135257659

Reduced:

N2O4F5H43C46 (1)

Stoich.:

A2B4C5D43E46 (1)

Weight, g/mol:

602.220398

ΔHf, kcal/mol:

-285.06

Dipole, Da:

4.79

IP(EA), eV:

 -9.21(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4-cyclohexylphenyl)methyl-[(2R)-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]-2-hydroxybenzoic acid

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]6CCCN6CC7=C(C(=C(C(=C7F)F)F)F)F

DOS

IR

Vibrations