Geometry & MOs

Info

ID:	409568
PubChem CID:	135082350
Reduced:	ClFON5C10H11 (1)
Stoich.:	ABCD5E10F11 (1)
Weight, g/mol:	202.998918
ΔH_f, kcal/mol:	-29.07
Dipole, Da:	4.24
IP(EA), eV:	-9.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzo[f][1,2]benzodithiol-2-ium

Drug info:

PubChemData

Smile

C1C(CC1(CO)F)N2C=NC3=C(N=C(N=C32)Cl)N

DOS

IR

Vibrations