Geometry & MOs

Info

ID:	440319
PubChem CID:	135230266
Reduced:	FS2N7H10C13 (1)
Stoich.:	AB2C7D10E13 (1)
Weight, g/mol:	321.104817
ΔH_f, kcal/mol:	133.41
Dipole, Da:	7.93
IP(EA), eV:	-9.33(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylimidazol-2-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C=CC(=C3)F)N=C2SCC4=NC=CS4

DOS

IR

Vibrations