Geometry & MOs

Info

ID:	388723
PubChem CID:	134989994
Reduced:	N3S3O4C5H11 (1)
Stoich.:	A3B3C4D5E11 (1)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	-155.79
Dipole, Da:	9.52
IP(EA), eV:	-8.46(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7S)-5-oxido-4-oxa-3-aza-5-azoniatetracyclo[5.5.1.02,6.08,12]trideca-2,5,9-triene

Drug info:

PubChemData

Smile

CNC1=S(SC(=N1)N(C)C)OS(=O)(=O)O

DOS

IR

Vibrations