Geometry & MOs

Info

ID:

443048

PubChem CID:

135257533

Reduced:

SN2O4F5H29C31 (1)

Stoich.:

AB2C4D5E29F31 (1)

Weight, g/mol:

620.176819

ΔHf, kcal/mol:

-309.98

Dipole, Da:

9.65

IP(EA), eV:

 -9.48(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1(CC1)C(=O)N(CC2=CC=C(C=C2)C3CCCCC3)C4=CC(=C(C=C4)C(=O)O)O)SC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations