Geometry & MOs

Info

ID:	21689
PubChem CID:	589534
Reduced:	SN4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	308.109568
ΔH_f, kcal/mol:	99.72
Dipole, Da:	3.84
IP(EA), eV:	-8.68(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[(1-methylbenzimidazol-2-yl)methylsulfanyl]benzimidazole

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4N3C

DOS

IR

Vibrations