Geometry & MOs

Info

ID:	68830
PubChem CID:	46509173
Reduced:	SCl2O3N4C22H22 (1)
Stoich.:	AB2C3D4E22F22 (1)
Weight, g/mol:	431.19574
ΔH_f, kcal/mol:	-48.74
Dipole, Da:	4.96
IP(EA), eV:	-9.07(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)NC3CC3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations