Geometry & MOs

Info

ID:	53004
PubChem CID:	14709386
Reduced:	ClSN3O4H8C13 (1)
Stoich.:	ABC3D4E8F13 (1)
Weight, g/mol:	238.043893
ΔH_f, kcal/mol:	113.34
Dipole, Da:	13.24
IP(EA), eV:	-9.76(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

C1=CC=C2C(=C1)C=CC3=[N+]2C4=NC=CN=C4S3.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations