Geometry & MOs

Info

ID:	147666
PubChem CID:	53787323
Reduced:	S2N5O7C15H15 (1)
Stoich.:	A2B5C7D15E15 (1)
Weight, g/mol:	215.118438
ΔH_f, kcal/mol:	-175.91
Dipole, Da:	8.33
IP(EA), eV:	-9.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-aza-8-azoniatricyclo[8.5.0.03,8]pentadeca-1(10),3,5,7-tetraen-9-one

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)NC2C3CSC4CC(=O)OC4(N3C2=O)C(=O)O

DOS

IR

Vibrations