Geometry & MOs

Info

ID:	216146
PubChem CID:	85085796
Reduced:	N2O4H10C11 (1)
Stoich.:	A2B4C10D11 (1)
Weight, g/mol:	236.117077
ΔH_f, kcal/mol:	-88.75
Dipole, Da:	4.03
IP(EA), eV:	-10.52(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;5-ethyl-3-(propan-2-yloxymethyl)-2-sulfanylidene-4,5-dihydropyrimidin-4-id-6-one

Drug info:

PubChemData

Smile

CN1C(C23C=CC(O2)C(C3C1=O)C(=O)O)C#N

DOS

IR

Vibrations