Geometry & MOs

Info

ID:	333699
PubChem CID:	127252251
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	438.136176
ΔH_f, kcal/mol:	-45.06
Dipole, Da:	4.68
IP(EA), eV:	-9.18(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations