Geometry & MOs

Info

ID:	331031
PubChem CID:	127248438
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	-21.06
Dipole, Da:	5.24
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=C(C3=C(S2)N=CC=C3)C4CN(CCO4)C5=NC=CC=N5

DOS

IR

Vibrations