Geometry & MOs

Info

ID:	330865
PubChem CID:	127248272
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	430.203862
ΔH_f, kcal/mol:	-12.66
Dipole, Da:	3.15
IP(EA), eV:	-9.08(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4)CCC5=CC=CC=C5

DOS

IR

Vibrations