Geometry & MOs

Info

ID:	134136
PubChem CID:	51650275
Reduced:	NSO3C8H8 (2)
Stoich.:	ABC3D8E8 (2)
Weight, g/mol:	307.148024
ΔH_f, kcal/mol:	-107.11
Dipole, Da:	20.31
IP(EA), eV:	-8.64(-3.48)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

13-ethyl-9-oxo-12-thia-10,17-diazatetracyclo[8.7.0.03,8.011,15]heptadec-13-en-16-olate

Drug info:

PubChemData

Smile

CCN=C1C=CC(=C([O-])OCC)C=C1NS(=O)(=O)C2=CC(=CS2)C(=O)[O-]

DOS

IR

Vibrations