Geometry & MOs

Info

ID:	302712
PubChem CID:	124392088
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	474.04265
ΔH_f, kcal/mol:	-126.03
Dipole, Da:	4.03
IP(EA), eV:	-8.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-bromo-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)NCC2=CC=CO2)OC3=CC=CC=C3OC

DOS

IR

Vibrations