Geometry & MOs

Info

ID:	347506
PubChem CID:	127272361
Reduced:	OSN4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	391.135448
ΔH_f, kcal/mol:	-9.16
Dipole, Da:	5.04
IP(EA), eV:	-8.5(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzothiophen-2-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=CC=N2)C(=O)NCCC3=NC4=C(S3)CCCC4

DOS

IR

Vibrations