Geometry & MOs

Info

ID:	173607
PubChem CID:	75661082
Reduced:	FSN3O4C27H30 (1)
Stoich.:	ABC3D4E27F30 (1)
Weight, g/mol:	234.027671
ΔH_f, kcal/mol:	-106.79
Dipole, Da:	6.58
IP(EA), eV:	-8.54(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

5-[(4-oxido-6-oxo-5H-pyrimidin-5-yl)methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=NCC(C3=CC=CC=C3OC)[NH+]4CCCC4)[O-])F

DOS

IR

Vibrations