Geometry & MOs

Info

ID:	289127
PubChem CID:	104337083
Reduced:	ClOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	262.054277
ΔH_f, kcal/mol:	4.6
Dipole, Da:	3.42
IP(EA), eV:	-9.14(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)SC2=CC=CC=C2C

DOS

IR

Vibrations