Geometry & MOs

Info

ID:	331028
PubChem CID:	127248435
Reduced:	SO2N5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	18.01
Dipole, Da:	4.74
IP(EA), eV:	-9.06(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-(4-pyrimidin-2-ylmorpholin-2-yl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations