Geometry & MOs

Info

ID:	330949
PubChem CID:	127248356
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-65.31
Dipole, Da:	9.34
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations