Geometry & MOs

Info

ID:	330870
PubChem CID:	127248277
Reduced:	FSO2N4C23H25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-60.72
Dipole, Da:	1.69
IP(EA), eV:	-8.85(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[1-(2-methoxy-2-methylpropanoyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)CN(C)CC4=CC=C(C=C4)F

DOS

IR

Vibrations