Geometry & MOs

Info

ID:	331035
PubChem CID:	127248442
Reduced:	FSN3O4C22H22 (1)
Stoich.:	ABC3D4E22F22 (1)
Weight, g/mol:	427.131425
ΔH_f, kcal/mol:	-151.09
Dipole, Da:	5.01
IP(EA), eV:	-9.05(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[4-(5-methylpyrazine-2-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC(=CC=C2)F)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations