Geometry & MOs

Info

ID:	340200
PubChem CID:	127262209
Reduced:	ClSN2O4C8H9 (1)
Stoich.:	ABC2D4E8F9 (1)
Weight, g/mol:	255.031377
ΔH_f, kcal/mol:	-101.88
Dipole, Da:	4.29
IP(EA), eV:	-9.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[amino-(4-cyanophenoxy)methylidene]amino] methanesulfonate

Drug info:

PubChemData

Smile

CS(=O)(=O)O/N=C(\N)/OC1=CC=C(C=C1)Cl

DOS

IR

Vibrations