Geometry & MOs

Info

ID:	335884
PubChem CID:	127254746
Reduced:	ClN4O4H23C24 (1)
Stoich.:	AB4C4D23E24 (1)
Weight, g/mol:	299.011599
ΔH_f, kcal/mol:	-82.28
Dipole, Da:	2.72
IP(EA), eV:	-9.0(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[1-(2,5-dichloroanilino)ethylidene]-5-methyloxolane-2,4-dione

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCCC3=NC(=NO3)C4=CC=CC=C4Cl)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations