Geometry & MOs

Info

ID:	296695
PubChem CID:	117588942
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	317.106372
ΔH_f, kcal/mol:	-76.2
Dipole, Da:	2.27
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-(triethoxymethyl)thiolan-3-amine;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NCCC2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations