Geometry & MOs

Info

ID:

443078

PubChem CID:

135257622

Reduced:

SN2F5O6H27C30 (1)

Stoich.:

AB2C5D6E27F30 (1)

Weight, g/mol:

626.150999

ΔHf, kcal/mol:

-395.63

Dipole, Da:

8.87

IP(EA), eV:

 -9.47(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-4-[[4-(oxolan-3-yl)phenyl]methyl-[2-[(2,3,4,5,6-pentafluorophenyl)sulfinyl-propylamino]acetyl]amino]benzoic 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]4CCN4S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations