Geometry & MOs

Info

ID:	264454
PubChem CID:	103462830
Reduced:	BrSN2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	17.01
Dipole, Da:	3.66
IP(EA), eV:	-8.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylbutyl)-5,6-dimethoxy-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

CCC(C)(C)CN1C2=C(C=C(C=C2)Br)NC1=S

DOS

IR

Vibrations