Geometry & MOs

Info

ID:	53002
PubChem CID:	14709383
Reduced:	N2O3S3H20C24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	188.028243
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	7.46
IP(EA), eV:	-8.33(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-thia-3,6-diaza-1-azoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C/C(=C\C=C/2\N(C3=CC=CC=C3S2)C)/C(=O)C4=CC=CC=C4O)/SC1=S

DOS

IR

Vibrations