Geometry & MOs

Info

ID:	263086
PubChem CID:	103339132
Reduced:	SN2O5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-160.86
Dipole, Da:	8.44
IP(EA), eV:	-9.38(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-methoxyethyl(prop-2-enyl)amino]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

COCCN(CC=C)C1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

DOS

IR

Vibrations