Geometry & MOs

Info

ID:	163504
PubChem CID:	58009805
Reduced:	SF2O3N6H18C19 (1)
Stoich.:	AB2C3D6E18F19 (1)
Weight, g/mol:	240.099774
ΔH_f, kcal/mol:	-78.37
Dipole, Da:	11.1
IP(EA), eV:	-9.0(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 3-O-methyl 2-ethyl-4-hydroxycyclopenta-1,3-diene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@@H]1C2=NNC3=CN=C4C(=CC=N4)N32)NS(=O)(=O)C5=CC=CC(=C5)OC(F)F

DOS

IR

Vibrations