Geometry & MOs

Info

ID:	440433
PubChem CID:	135230410
Reduced:	OSN4H12C16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	345.083036
ΔH_f, kcal/mol:	120.32
Dipole, Da:	3.05
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-diazenyl-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzimidazole-1-carboximidamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2C3=NOC=C3)SCC4=CC=CC=N4

DOS

IR

Vibrations