Geometry & MOs

Info

ID:	328531
PubChem CID:	126724224
Reduced:	ClN2S2O5H15C20 (1)
Stoich.:	AB2C2D5E15F20 (1)
Weight, g/mol:	431.173273
ΔH_f, kcal/mol:	-93.49
Dipole, Da:	5.45
IP(EA), eV:	-9.52(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations