Geometry & MOs

Info

ID:	176069
PubChem CID:	75991565
Reduced:	N4O5C22H26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	468.120047
ΔH_f, kcal/mol:	-187.65
Dipole, Da:	4.57
IP(EA), eV:	-9.18(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-acetyl-5-(2-ethoxyphenyl)pyrazolidin-3-ylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(=O)N1C(CC(=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)N1)C4=CC=CC=C4OC

DOS

IR

Vibrations