Geometry & MOs

Info

ID:	216724
PubChem CID:	85086674
Reduced:	N2O6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	298.132727
ΔH_f, kcal/mol:	-256.02
Dipole, Da:	4.29
IP(EA), eV:	-10.26(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;5-ethyl-3-[(4-methylphenyl)methoxymethyl]-2-sulfanylidene-4,5-dihydropyrimidin-4-id-6-one

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C=C)O

DOS

IR

Vibrations