Geometry & MOs

Info

ID:	330886
PubChem CID:	127248293
Reduced:	FSN3O3C23H24 (1)
Stoich.:	ABC3D3E23F24 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-112.04
Dipole, Da:	3.52
IP(EA), eV:	-9.24(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations