Geometry & MOs

Info

ID:	264453
PubChem CID:	103462829
Reduced:	BrFSN2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	312.02958
ΔH_f, kcal/mol:	-27.58
Dipole, Da:	2.43
IP(EA), eV:	-8.5(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C)CN1C2=CC(=C(C=C2NC1=S)F)Br

DOS

IR

Vibrations