Geometry & MOs

Info

ID:	77473
PubChem CID:	49640651
Reduced:	ClSO3N4C18H19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-64.47
Dipole, Da:	4.62
IP(EA), eV:	-9.16(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-3-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)C(=O)CCNC(=O)NNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations