Geometry & MOs

Info

ID:	124662
PubChem CID:	50891239
Reduced:	ISN3O3C9H12 (1)
Stoich.:	ABC3D3E9F12 (1)
Weight, g/mol:	353.073322
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	5.75
IP(EA), eV:	-9.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)propanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC(=O)NN)C1=CC=C(C=C1)I

DOS

IR

Vibrations