Geometry & MOs

Info

ID:	440289
PubChem CID:	135230236
Reduced:	OSN7C13H15 (1)
Stoich.:	ABC7D13E15 (1)
Weight, g/mol:	401.00583
ΔH_f, kcal/mol:	91.25
Dipole, Da:	9.02
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole

Drug info:

PubChemData

Smile

CCNC(=O)CSC1=NC2=CC=CC=C2N1C3=NN=NN3C

DOS

IR

Vibrations