Geometry & MOs

Info

ID:	331039
PubChem CID:	127248446
Reduced:	SO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	-94.25
Dipole, Da:	5.09
IP(EA), eV:	-9.07(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)CC(=O)NC4CCCCC4

DOS

IR

Vibrations