Geometry & MOs

Info

ID:	142493
PubChem CID:	53043699
Reduced:	FSN3O3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	464.05177
ΔH_f, kcal/mol:	-126.21
Dipole, Da:	2.5
IP(EA), eV:	-9.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)F)N(C1=O)CC

DOS

IR

Vibrations