Geometry & MOs

Info

ID:	331032
PubChem CID:	127248439
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	427.167811
ΔH_f, kcal/mol:	-7.9
Dipole, Da:	3.72
IP(EA), eV:	-8.81(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-(2-methoxyethyl)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)NC)C

DOS

IR

Vibrations