Geometry & MOs

Info

ID:	388695
PubChem CID:	134989918
Reduced:	BrNSO2H5C8 (1)
Stoich.:	ABCD2E5F8 (1)
Weight, g/mol:	344.9969
ΔH_f, kcal/mol:	25.09
Dipole, Da:	2.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.871487
Charge, e:	0

Chem-info

IUPAC name:

3-N-benzyl-1-bromo-3-N,5-N,5-N-trimethyl-1lambda4,2-dithia-4-azacyclopenta-3,5-diene-3,5-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C([O+]=NS2)O)Br

DOS

IR

Vibrations