Geometry & MOs

Info

ID:	1975
PubChem CID:	5477
Reduced:	FOSN3C22H24 (1)
Stoich.:	ABCD3E22F24 (1)
Weight, g/mol:	397.162412
ΔH_f, kcal/mol:	-15.44
Dipole, Da:	2.76
IP(EA), eV:	-8.69(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-[4-(2-sulfanylbenzimidazol-1-yl)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=CC=CC=C3N=C2S)CCCC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations