Geometry & MOs

Info

ID:	330960
PubChem CID:	127248367
Reduced:	SO4N5C20H21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	443.162725
ΔH_f, kcal/mol:	-60.4
Dipole, Da:	5.78
IP(EA), eV:	-8.94(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1-ethylpyrazole-3-carbonyl)morpholin-2-yl]-N-(2-methoxyethyl)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)C4=NC=CN=C4

DOS

IR

Vibrations