Geometry & MOs

Info

ID:	173493
PubChem CID:	75644489
Reduced:	BrSN3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	313.108936
ΔH_f, kcal/mol:	-111.64
Dipole, Da:	4.51
IP(EA), eV:	-9.29(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1H-benzimidazol-2-yl-[(2-oxoacenaphthylen-1-ylidene)amino]azanium

Drug info:

PubChemData

Smile

CC(=O)NC1C(NC(NC1=O)SCC2=CC=C(C=C2)Br)O

DOS

IR

Vibrations