Geometry & MOs

Info

ID:

443062

PubChem CID:

135257591

Reduced:

SN2O3F5H27C29 (1)

Stoich.:

AB2C3D5E27F29 (1)

Weight, g/mol:

640.130263

ΔHf, kcal/mol:

-279.87

Dipole, Da:

1.5

IP(EA), eV:

 -9.35(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-4-[[4-(oxolan-3-yl)phenyl]methyl-[(2R)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations