Geometry & MOs

Info

ID:	133932
PubChem CID:	51615749
Reduced:	OS2N5C22H31 (1)
Stoich.:	AB2C5D22E31 (1)
Weight, g/mol:	365.113747
ΔH_f, kcal/mol:	17.82
Dipole, Da:	2.6
IP(EA), eV:	-9.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(2-ethoxyphenyl)-5-(4-methylbenzoyl)-2,6-dioxopyrimidin-4-olate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@](C)(C#N)C(C)C)SC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

DOS

IR

Vibrations