Geometry & MOs

Info

ID:	330884
PubChem CID:	127248291
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	427.136591
ΔH_f, kcal/mol:	-16.33
Dipole, Da:	0.99
IP(EA), eV:	-8.93(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)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=C4

DOS

IR

Vibrations