Geometry & MOs

Info

ID:	124749
PubChem CID:	50894919
Reduced:	SN3O8H15C16 (1)
Stoich.:	AB3C8D15E16 (1)
Weight, g/mol:	365.093309
ΔH_f, kcal/mol:	-128.81
Dipole, Da:	8.67
IP(EA), eV:	-10.33(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])N(CCC(=O)O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations