Geometry & MOs

Info

ID:	331730
PubChem CID:	127249813
Reduced:	ON3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	30.26
Dipole, Da:	4.54
IP(EA), eV:	-8.51(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylphenoxy)-1-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CNC3=CC=CC=C32)C4=NC(=CC=C4)NC5=NC=CC=N5

DOS

IR

Vibrations