Geometry & MOs

Info

ID:	44020
PubChem CID:	10322927
Reduced:	ClSN2O4C24H33 (1)
Stoich.:	ABC2D4E24F33 (1)
Weight, g/mol:	480.983133
ΔH_f, kcal/mol:	-163.13
Dipole, Da:	6.03
IP(EA), eV:	-9.87(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-3-[2,3,5,6-tetrachloro-4-(4-hydroxy-3-methyl-5-propan-2-ylphenoxy)anilino]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCC2=CN=CC=C2

DOS

IR

Vibrations