Geometry & MOs

Info

ID:	49228
PubChem CID:	11532110
Reduced:	SN2O3C24H37 (1)
Stoich.:	AB2C3D24E37 (1)
Weight, g/mol:	433.188923
ΔH_f, kcal/mol:	-100.13
Dipole, Da:	8.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.855226
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[2-methyl-4-[1-oxo-1-(4-phenylanilino)propan-2-yl]oxyphenoxy]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCC(=C)CC/C(=C(\[N+]#N)/S(=O)(=O)C1=C(C=C(C=C1C)C)C)/O

DOS

IR

Vibrations