Geometry & MOs

Info

ID:	331030
PubChem CID:	127248437
Reduced:	SO3N5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-30.19
Dipole, Da:	3.41
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[3-(4-pyrimidin-2-ylmorpholin-2-yl)thieno[2,3-b]pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)C4=NC=CC=N4

DOS

IR

Vibrations