Geometry & MOs

Info

ID:	124057
PubChem CID:	50871404
Reduced:	SN2O5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	432.11215
ΔH_f, kcal/mol:	-72.76
Dipole, Da:	3.42
IP(EA), eV:	-8.9(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl] 2-fluorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3)OC(=O)C4=CC=CS4

DOS

IR

Vibrations