Geometry & MOs

Info

ID:	50086
PubChem CID:	12012589
Reduced:	SN2O4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	397.06538
ΔH_f, kcal/mol:	-82.64
Dipole, Da:	8.42
IP(EA), eV:	-9.17(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=N\OCCC#N)/C1=CC=C(C=C1)OS(=O)(=O)C

DOS

IR

Vibrations