Geometry & MOs

Info

ID:	85173
PubChem CID:	49872201
Reduced:	ClSN2O3H21C28 (1)
Stoich.:	ABC2D3E21F28 (1)
Weight, g/mol:	536.18667
ΔH_f, kcal/mol:	7.23
Dipole, Da:	7.09
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations