Geometry & MOs

Info

ID:	331070
PubChem CID:	127248477
Reduced:	FSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-95.93
Dipole, Da:	4.53
IP(EA), eV:	-8.99(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylmorpholin-2-yl)-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)CCCOC4=CC=C(C=C4)F

DOS

IR

Vibrations