Geometry & MOs

Info

ID:	85171
PubChem CID:	49872199
Reduced:	ClN2O3H25C31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	486.080491
ΔH_f, kcal/mol:	-7.41
Dipole, Da:	1.1
IP(EA), eV:	-8.79(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4C5=CC(=CC=C5)OC(C)C(=O)O

DOS

IR

Vibrations