Geometry & MOs

Info

ID:	302698
PubChem CID:	124392006
Reduced:	O3N4H22C25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	474.04265
ΔH_f, kcal/mol:	7.63
Dipole, Da:	2.53
IP(EA), eV:	-8.42(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[4-bromo-2-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenoxy]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)N/N=C/C3=CN(C4=CC=CC=C43)CC(=O)N

DOS

IR

Vibrations