Geometry & MOs

Info

ID:	204734
PubChem CID:	80001976
Reduced:	BrClNSO5H9C12 (1)
Stoich.:	ABCDE5F9G12 (1)
Weight, g/mol:	310.062343
ΔH_f, kcal/mol:	-137.46
Dipole, Da:	3.52
IP(EA), eV:	-10.37(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-pyridin-2-ylethylsulfonylamino)methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)Cl)S(=O)(=O)NCC2=CC=C(O2)C(=O)O

DOS

IR

Vibrations