Geometry & MOs

Info

ID:	331021
PubChem CID:	127248428
Reduced:	SN4O4C22H30 (1)
Stoich.:	AB4C4D22E30 (1)
Weight, g/mol:	419.151492
ΔH_f, kcal/mol:	-128.81
Dipole, Da:	8.37
IP(EA), eV:	-8.87(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4

DOS

IR

Vibrations