Geometry & MOs

Info

ID:	292059
PubChem CID:	114182756
Reduced:	BrO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	309.95239
ΔH_f, kcal/mol:	-0.04
Dipole, Da:	5.79
IP(EA), eV:	-8.85(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CNC(=O)C2=CC(=C(C=C2)Br)N

DOS

IR

Vibrations