Geometry & MOs

Info

ID:	150931
PubChem CID:	53790628
Reduced:	N4O13C56H70 (1)
Stoich.:	A4B13C56D70 (1)
Weight, g/mol:	263.049038
ΔH_f, kcal/mol:	-558.21
Dipole, Da:	8.32
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(2,3-diaminophenoxy)benzenesulfinate

Drug info:

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)OC(=O)C([C@]2(CCC3[C@@]2(C[C@@H](C4C3CC=C5[C@@]4(C=CC(=O)C5)C)O)C)OC(=O)C(C)C)O)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68

DOS

IR

Vibrations