Geometry & MOs

Info

ID:	173810
PubChem CID:	75686656
Reduced:	ClN2O4H12C17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	344.056385
ΔH_f, kcal/mol:	-62.62
Dipole, Da:	3.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768607
Charge, e:	0

Chem-info

IUPAC name:

5-benzoyl-1-(3-chlorophenyl)-6-hydroxy-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2C(N(C(=O)NC2=O)C3=CC(=CC=C3)Cl)[O-]

DOS

IR

Vibrations