Geometry & MOs

Info

ID:	53006
PubChem CID:	14709388
Reduced:	ClSN3O4H10C14 (1)
Stoich.:	ABC3D4E10F14 (1)
Weight, g/mol:	252.059544
ΔH_f, kcal/mol:	100.15
Dipole, Da:	12.33
IP(EA), eV:	-9.65(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-methyl-11-thia-13,16-diaza-1-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

Drug info:

PubChemData

Smile

CC1=CC2=[N+](C3=CC=CC=C13)C4=NC=CN=C4S2.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations