Geometry & MOs

Info

ID:	289322
PubChem CID:	104345321
Reduced:	FOSN3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	311.087453
ΔH_f, kcal/mol:	-31.54
Dipole, Da:	3.38
IP(EA), eV:	-8.97(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)SC2=CC=CC(=C2)F)N

DOS

IR

Vibrations