Geometry & MOs

Info

ID:	330828
PubChem CID:	127248235
Reduced:	FSN3O3C23H24 (1)
Stoich.:	ABC3D3E23F24 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	-103.52
Dipole, Da:	5.51
IP(EA), eV:	-8.93(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[1-(2-methoxy-3-methylbenzoyl)pyrrolidin-3-yl]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)C(=O)CC4=CC(=C(C=C4)OC)F

DOS

IR

Vibrations