Geometry & MOs

Info

ID:	330824
PubChem CID:	127248231
Reduced:	ClSO2N3C23H24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	439.172976
ΔH_f, kcal/mol:	-32.72
Dipole, Da:	6.86
IP(EA), eV:	-9.22(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[4-(4-fluorophenyl)butanoyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)CCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations