Geometry & MOs

Info

ID:	440258
PubChem CID:	135230189
Reduced:	ClSF2N2O2H9C12 (1)
Stoich.:	ABC2D2E2F9G12 (1)
Weight, g/mol:	326.131366
ΔH_f, kcal/mol:	-125.86
Dipole, Da:	4.65
IP(EA), eV:	-9.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methyl-2-[[6-(methylamino)pyridin-2-yl]methylsulfanyl]benzimidazole-1-carboximidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(C(=O)NC2=NC(=CS2)CCl)(F)F

DOS

IR

Vibrations