Geometry & MOs

Info

ID:	330955
PubChem CID:	127248362
Reduced:	SO3N5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	429.183461
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	4.16
IP(EA), eV:	-8.75(-1.31)
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-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations