Geometry & MOs

Info

ID:

443085

PubChem CID:

135257657

Reduced:

SN2O6C31H34 (1)

Stoich.:

AB2C6D31E34 (1)

Weight, g/mol:

616.199663

ΔHf, kcal/mol:

-202.63

Dipole, Da:

9.77

IP(EA), eV:

 -9.32(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4-cyclohexylphenyl)methyl-[(2R)-1-(2,3,4,5,6-pentafluorobenzoyl)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)O)O)C(=O)[C@H]4CCCN4S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations