Geometry & MOs

Info

ID:	331034
PubChem CID:	127248441
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	443.131506
ΔH_f, kcal/mol:	-48.61
Dipole, Da:	5.49
IP(EA), eV:	-8.98(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations