Geometry & MOs

Info

ID:	43898
PubChem CID:	10321951
Reduced:	Cl2O2N4C23H24 (1)
Stoich.:	A2B2C4D23E24 (1)
Weight, g/mol:	459.078801
ΔH_f, kcal/mol:	-16.6
Dipole, Da:	6.87
IP(EA), eV:	-8.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(4-fluorophenyl)sulfonyl-4-hydroxyphenoxy]-2,4-dimethylanilino]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)OC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)Cl)Cl)OC

DOS

IR

Vibrations