Geometry & MOs

Info

ID:	188157
PubChem CID:	77675657
Reduced:	SCl2O2N4H20C25 (1)
Stoich.:	AB2C2D4E20F25 (1)
Weight, g/mol:	302.090272
ΔH_f, kcal/mol:	21.18
Dipole, Da:	4.0
IP(EA), eV:	-8.62(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-methyl-2,4-dioxo-4a,7a-dihydrofuro[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)NC1C#CC2=CC3=C(C=CS3)C(=N2)NC4=CC(=C(C=C4)OCC5=CC=CC=N5)Cl.Cl

DOS

IR

Vibrations