Geometry & MOs

Info

ID:	85172
PubChem CID:	49872200
Reduced:	ClSN2O3H19C27 (1)
Stoich.:	ABC2D3E19F27 (1)
Weight, g/mol:	500.096141
ΔH_f, kcal/mol:	18.61
Dipole, Da:	4.87
IP(EA), eV:	-9.05(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[1-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-3-yl]phenyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations