Geometry & MOs

Info

ID:	331052
PubChem CID:	127248459
Reduced:	SO3N4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	415.167811
ΔH_f, kcal/mol:	-12.99
Dipole, Da:	6.6
IP(EA), eV:	-9.14(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)C(=O)C4=CC5=C(C=C4)N=CC=C5

DOS

IR

Vibrations