Geometry & MOs

Info

ID:	331703
PubChem CID:	127249786
Reduced:	ON6C24H26 (1)
Stoich.:	AB6C24D26 (1)
Weight, g/mol:	443.142739
ΔH_f, kcal/mol:	84.48
Dipole, Da:	2.48
IP(EA), eV:	-7.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)NC2=CC=CC(=N2)C3CN(CCO3)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations