Geometry & MOs

Info

ID:	289125
PubChem CID:	104337013
Reduced:	ClOSN2C10H15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	290.049191
ΔH_f, kcal/mol:	-24.08
Dipole, Da:	2.91
IP(EA), eV:	-9.09(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylacetate

Drug info:

PubChemData

Smile

CCCSC1=CC(=NC(=N1)COCC)Cl

DOS

IR

Vibrations