Geometry & MOs

Info

ID:	346657
PubChem CID:	127271161
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	-151.54
Dipole, Da:	2.75
IP(EA), eV:	-8.24(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCC(C2)CNC(=O)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations