Geometry & MOs

Info

ID:

57439

PubChem CID:

22395932

Reduced:

S2N3F6O10H37C39 (1)

Stoich.:

A2B3C6D10E37F39 (1)

Weight, g/mol:

592.063791

ΔHf, kcal/mol:

-632.81

Dipole, Da:

2.54

IP(EA), eV:

 -8.75(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CC3=CC4=CC=CC=C4C=C3)C(=O)O)C(=O)C5CCCN5S(=O)(=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OC

DOS

IR

Vibrations