Geometry & MOs

Info

ID:	50085
PubChem CID:	12012588
Reduced:	NSO6C14H19 (1)
Stoich.:	ABC6D14E19 (1)
Weight, g/mol:	282.067428
ΔH_f, kcal/mol:	-208.29
Dipole, Da:	4.97
IP(EA), eV:	-9.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-N-(2-cyanoethoxy)-C-methylcarbonimidoyl]phenyl] methanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)CCO/N=C(\C)/C1=CC=C(C=C1)OS(=O)(=O)C

DOS

IR

Vibrations