Geometry & MOs

Info

ID:	44306
PubChem CID:	10502619
Reduced:	ClSF3N3O5H13C14 (1)
Stoich.:	ABC3D3E5F13G14 (1)
Weight, g/mol:	429.76319
ΔH_f, kcal/mol:	-297.57
Dipole, Da:	3.15
IP(EA), eV:	-9.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dihydro-4H-cyclopenta[d][1,3]diselenol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-5-one

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)OC2=CC(=C(C=C2)C(F)(F)F)NC(=O)CO)Cl)S(=O)(=O)C

DOS

IR

Vibrations