Geometry & MOs

Info

ID:	124741
PubChem CID:	50894656
Reduced:	NSCl2O6H15C17 (1)
Stoich.:	ABC2D6E15F17 (1)
Weight, g/mol:	340.036522
ΔH_f, kcal/mol:	-229.6
Dipole, Da:	3.23
IP(EA), eV:	-9.91(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[furan-2-ylmethyl-(3-nitrophenyl)sulfonylamino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N(CCCC(=O)O)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)O

DOS

IR

Vibrations