Geometry & MOs

Info

ID:	307629
PubChem CID:	125307822
Reduced:	Si2O5C30H48 (1)
Stoich.:	A2B5C30D48 (1)
Weight, g/mol:	296.038627
ΔH_f, kcal/mol:	-311.71
Dipole, Da:	2.19
IP(EA), eV:	-8.36(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chlorophenoxy)ethylsulfanyl]-6-methyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=O)O[C@H](CC1=CC(=C(C=C1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)COCC2=CC=CC=C2

DOS

IR

Vibrations