Geometry & MOs

Info

ID:	330880
PubChem CID:	127248287
Reduced:	SO2N4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	413.157326
ΔH_f, kcal/mol:	-15.16
Dipole, Da:	8.94
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)CC(=O)N4CCCC5=CC=CC=C54

DOS

IR

Vibrations