Geometry & MOs

Info

ID:	331098
PubChem CID:	127248505
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	427.136591
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	4.97
IP(EA), eV:	-9.03(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylmorpholin-2-yl)-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N(CC4=CC=CC=N4)C5CC5

DOS

IR

Vibrations