Geometry & MOs

Info

ID:	21580
PubChem CID:	589051
Reduced:	SN4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	322.125218
ΔH_f, kcal/mol:	84.63
Dipole, Da:	3.55
IP(EA), eV:	-8.96(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CCSCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations