Geometry & MOs

Info

ID:	214045
PubChem CID:	81065905
Reduced:	NSCl3O4C12H14 (1)
Stoich.:	ABC3D4E12F14 (1)
Weight, g/mol:	314.093643
ΔH_f, kcal/mol:	-172.38
Dipole, Da:	5.09
IP(EA), eV:	-10.08(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-carbamoylphenyl)sulfonylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)C1=C(C=C(C=C1Cl)Cl)Cl

DOS

IR

Vibrations