Geometry & MOs

Info

ID:	388722
PubChem CID:	134989993
Reduced:	NS2Cl3H4O5C7 (1)
Stoich.:	AB2C3D4E5F7 (1)
Weight, g/mol:	272.991169
ΔH_f, kcal/mol:	18.07
Dipole, Da:	9.27
IP(EA), eV:	-9.55(-3.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylamino)-5-(methylamino)-1lambda4,2-dithia-4-azacyclopenta-3,5-dien-1-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1N=S(S2)OCl(=O)(=O)=O)Cl)Cl

DOS

IR

Vibrations