Geometry & MOs

Info

ID:	233619
PubChem CID:	91146246
Reduced:	FON2H11C12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	332.106002
ΔH_f, kcal/mol:	-23.74
Dipole, Da:	4.73
IP(EA), eV:	-9.14(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]-2,4-dioxobutanoate

Drug info:

PubChemData

Smile

C1CN(CCC12C3=C(CO2)C=CN=C3)CC4=CN=C(C=C4)C(C5=CC(=C(C=C5)F)F)N=O

DOS

IR

Vibrations