Geometry & MOs

Info

ID:	258411
PubChem CID:	103153505
Reduced:	NSO6C10H19 (1)
Stoich.:	ABC6D10E19 (1)
Weight, g/mol:	319.047421
ΔH_f, kcal/mol:	-267.8
Dipole, Da:	6.94
IP(EA), eV:	-10.31(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(6-nitropyridin-3-yl)sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNS(=O)(=O)CC1CCCO1

DOS

IR

Vibrations