Geometry & MOs

Info

ID:	330954
PubChem CID:	127248361
Reduced:	SN3O4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	415.167811
ΔH_f, kcal/mol:	-141.18
Dipole, Da:	3.25
IP(EA), eV:	-8.92(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)C(=O)CC4CCCCC4

DOS

IR

Vibrations