Geometry & MOs

Info

ID:	77470
PubChem CID:	49640648
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-39.49
Dipole, Da:	5.02
IP(EA), eV:	-9.07(-0.19)
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]-4-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)NCCC(=O)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations