Geometry & MOs

Info

ID:	331044
PubChem CID:	127248451
Reduced:	SN4O4C22H30 (1)
Stoich.:	AB4C4D22E30 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-129.06
Dipole, Da:	7.98
IP(EA), eV:	-8.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-methyl-3-[4-(2-piperidin-1-ylacetyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)C(=O)CN4CCCCC4

DOS

IR

Vibrations