Geometry & MOs

Info

ID:	213938
PubChem CID:	81065571
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	428.9068
ΔH_f, kcal/mol:	-178.49
Dipole, Da:	9.71
IP(EA), eV:	-9.89(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2,5-dibromophenyl)sulfonylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations