Geometry & MOs

Info

ID:	330962
PubChem CID:	127248369
Reduced:	SO4N5C21H25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-76.2
Dipole, Da:	7.47
IP(EA), eV:	-8.96(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)CCO

DOS

IR

Vibrations