Geometry & MOs

Info

ID:	330883
PubChem CID:	127248290
Reduced:	ClSO2N3C22H24 (1)
Stoich.:	ABC2D3E22F24 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-26.27
Dipole, Da:	1.16
IP(EA), eV:	-8.97(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations