Geometry & MOs

Info

ID:	213944
PubChem CID:	81065577
Reduced:	BrClNS2O4C10H13 (1)
Stoich.:	ABCD2E4F10G13 (1)
Weight, g/mol:	275.093977
ΔH_f, kcal/mol:	-143.02
Dipole, Da:	5.72
IP(EA), eV:	-9.54(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)C1=CC(=C(S1)Br)Cl

DOS

IR

Vibrations