Geometry & MOs

Info

ID:	146729
PubChem CID:	53738608
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	349.047418
ΔH_f, kcal/mol:	-10.36
Dipole, Da:	6.95
IP(EA), eV:	-8.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-chloroethylsulfanyl)-3-methylpyridin-2-yl]methylsulfanyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CCCC1=C(N=NS1)C2=CC3=C(C=C(C=C3)NCCNCC)OC2=O

DOS

IR

Vibrations