Geometry & MOs

Info

ID:	226334
PubChem CID:	87350430
Reduced:	SO7C19H22 (1)
Stoich.:	AB7C19D22 (1)
Weight, g/mol:	193.085127
ΔH_f, kcal/mol:	-257.32
Dipole, Da:	4.16
IP(EA), eV:	-9.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-diazenylanilino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@@H]2[C@@H](COC(O2)C3=CC=CC=C3)O)O

DOS

IR

Vibrations