Geometry & MOs

Info

ID:	226691
PubChem CID:	87556911
Reduced:	NO2C21H45 (1)
Stoich.:	AB2C21D45 (1)
Weight, g/mol:	238.014724
ΔH_f, kcal/mol:	-201.45
Dipole, Da:	1.39
IP(EA), eV:	-9.48(2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-[(E)-prop-1-enoxy]-3-sulfobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC(C(C)(O)O)N

DOS

IR

Vibrations