Geometry & MOs

Info

ID:	249172
PubChem CID:	103087401
Reduced:	OSN2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	314.953512
ΔH_f, kcal/mol:	-44.4
Dipole, Da:	3.37
IP(EA), eV:	-8.45(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=CC=C1)NCCCCSC

DOS

IR

Vibrations