Geometry & MOs

Info

ID:	179686
PubChem CID:	76519215
Reduced:	SN3O8H21C23 (1)
Stoich.:	AB3C8D21E23 (1)
Weight, g/mol:	236.083078
ΔH_f, kcal/mol:	-103.29
Dipole, Da:	7.49
IP(EA), eV:	-9.25(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethanesulfonic acid;2-(nitrosomethylidene)piperidine

Drug info:

PubChemData

Smile

C=C1CSC2C(C(=O)[N+]2(C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[O-])NC(=O)COC4=CC=CC=C4

DOS

IR

Vibrations