Geometry & MOs

Info

ID:	388622
PubChem CID:	134989681
Reduced:	SN2O2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	241.97729
ΔH_f, kcal/mol:	16.91
Dipole, Da:	6.17
IP(EA), eV:	-8.88(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butylsulfanyl-1-chloro-1lambda4,2-dithia-4-azacyclopenta-3,5-dien-3-amine

Drug info:

PubChemData

Smile

CSC1=C(ON=[N+]1CC2=CC=CC=C2)[O-]

DOS

IR

Vibrations