Geometry & MOs

Info

ID:	208009
PubChem CID:	80480419
Reduced:	BrSN2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	387.92034
ΔH_f, kcal/mol:	18.34
Dipole, Da:	2.61
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromothiophen-2-yl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole

Drug info:

PubChemData

Smile

C1CC(CNC1)CNCC2=C(C=CS2)Br

DOS

IR

Vibrations