Geometry & MOs

Info

ID:	331029
PubChem CID:	127248436
Reduced:	SO3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	399.136511
ΔH_f, kcal/mol:	-33.64
Dipole, Da:	3.9
IP(EA), eV:	-9.08(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-(4-pyrimidin-2-ylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C2=NC=CC=N2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations