Geometry & MOs

Info

ID:	330885
PubChem CID:	127248292
Reduced:	FSN3O3C22H22 (1)
Stoich.:	ABC3D3E22F22 (1)
Weight, g/mol:	441.152241
ΔH_f, kcal/mol:	-114.86
Dipole, Da:	0.81
IP(EA), eV:	-9.33(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(SC3=C2C=CC=N3)C(=O)NCCO)C(=O)CC4=CC=CC=C4F

DOS

IR

Vibrations