Geometry & MOs

Info

ID:	81583
PubChem CID:	49854888
Reduced:	BrSN2C6H8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	278.065989
ΔH_f, kcal/mol:	35.85
Dipole, Da:	4.22
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)phenyl]sulfanyl-4,5-dihydro-1H-imidazole

Drug info:

PubChemData

Smile

C1CN=C(N1)SC2=CC(=CC=C2)SC3=NCCN3.Br.Br

DOS

IR

Vibrations