Geometry & MOs

Info

ID:	331089
PubChem CID:	127248496
Reduced:	SO3N5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	-52.79
Dipole, Da:	6.36
IP(EA), eV:	-9.0(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylmorpholin-2-yl)-N-[2-(4-methylphenoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN(C)C(=O)C2=C(C3=C(S2)N=CC=C3)C4CN(CCO4)C(=O)C

DOS

IR

Vibrations