Geometry & MOs

Info

ID:	140359
PubChem CID:	52686516
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	436.160283
ΔH_f, kcal/mol:	-80.67
Dipole, Da:	5.38
IP(EA), eV:	-8.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-1-thiomorpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)N3CCN(CC3)CC(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations