Geometry & MOs

Info

ID:	331015
PubChem CID:	127248422
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-60.51
Dipole, Da:	3.47
IP(EA), eV:	-9.0(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[4-(2-oxo-2-piperidin-1-ylethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1CCC2=CC=CC=C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations