Geometry & MOs

Info

ID:	26671
PubChem CID:	794548
Reduced:	ON2H18C22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	327.984004
ΔH_f, kcal/mol:	69.71
Dipole, Da:	3.44
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,4-dichlorophenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

C1[C@@H](N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations