Geometry & MOs

Info

ID:	330988
PubChem CID:	127248395
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	425.188546
ΔH_f, kcal/mol:	-23.88
Dipole, Da:	6.66
IP(EA), eV:	-8.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-ethylpyrimidin-5-yl)methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)C/C=C/C4=CC=CC=C4OC

DOS

IR

Vibrations