Geometry & MOs

Info

ID:	330942
PubChem CID:	127248349
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	406.167477
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	2.26
IP(EA), eV:	-9.36(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(dimethylamino)acetyl]morpholin-2-yl]-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CC2)C(=O)N3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)NCCO

DOS

IR

Vibrations