Geometry & MOs

Info

ID:	159989
PubChem CID:	57304335
Reduced:	SF3O3N4C8H14 (1)
Stoich.:	AB3C3D4E8F14 (1)
Weight, g/mol:	270.991532
ΔH_f, kcal/mol:	-169.45
Dipole, Da:	6.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.827116
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-N-(diaminomethylidene)-2-benzofuran-1-carboxamide

Drug info:

PubChemData

Smile

C1CC[N+](CC1)(CCN=[N+]=[N-])OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations