Geometry & MOs

Info

ID:	214046
PubChem CID:	81065907
Reduced:	SN2O5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	309.023785
ΔH_f, kcal/mol:	-194.18
Dipole, Da:	4.36
IP(EA), eV:	-10.22(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)C1=CC=C(C=C1)C(=O)N

DOS

IR

Vibrations