Geometry & MOs

Info

ID:	85128
PubChem CID:	49872007
Reduced:	ClSN2O3H19C27 (1)
Stoich.:	ABC2D3E19F27 (1)
Weight, g/mol:	514.111791
ΔH_f, kcal/mol:	18.45
Dipole, Da:	4.36
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[1-(4-chlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]phenyl]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=CC=C2)OCC(=O)O)C3=NN(C(=C3)C4=CC=CS4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations