Geometry & MOs

Info

ID:	17724
PubChem CID:	515229
Reduced:	FSO2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	383.110376
ΔH_f, kcal/mol:	1.64
Dipole, Da:	5.01
IP(EA), eV:	-8.69(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(2-fluorophenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=CC#C)C3=CC=CC=C3F)N=C1N

DOS

IR

Vibrations