Geometry & MOs

Info

ID:	330972
PubChem CID:	127248379
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	429.147075
ΔH_f, kcal/mol:	-93.05
Dipole, Da:	3.37
IP(EA), eV:	-8.76(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations