Geometry & MOs

Info

ID:	22152
PubChem CID:	596100
Reduced:	BrOSN2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	345.97755
ΔH_f, kcal/mol:	45.39
Dipole, Da:	1.04
IP(EA), eV:	-8.66(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations