Geometry & MOs

Info

ID:	302699
PubChem CID:	124392012
Reduced:	BrN2O6H19C21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	461.138699
ΔH_f, kcal/mol:	-141.17
Dipole, Da:	2.96
IP(EA), eV:	-9.03(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenoxy]-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)OC1=C(C=C(C=C1OC)Br)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations