Geometry & MOs

Info

ID:

443060

PubChem CID:

135257586

Reduced:

SN2O4F5C31H31 (1)

Stoich.:

AB2C4D5E31F31 (1)

Weight, g/mol:

638.150999

ΔHf, kcal/mol:

-339.29

Dipole, Da:

5.19

IP(EA), eV:

 -9.34(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)O)O)N(C)SC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations