Geometry & MOs

Info

ID:	261256
PubChem CID:	103224372
Reduced:	N3O5C7H9 (1)
Stoich.:	A3B5C7D9 (1)
Weight, g/mol:	262.031123
ΔH_f, kcal/mol:	-77.87
Dipole, Da:	7.45
IP(EA), eV:	-10.81(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)sulfonyl-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)N1C=CC(=N1)[N+](=O)[O-]

DOS

IR

Vibrations