Geometry & MOs

Info

ID:	28030
PubChem CID:	825156
Reduced:	NO4H15C19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	346.017891
ΔH_f, kcal/mol:	-104.49
Dipole, Da:	9.9
IP(EA), eV:	-9.03(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

C[C@@]12CCCC3=C1N(C4=CC=CC=C24)C(=O)C5=C3OC(=CC5=O)O

DOS

IR

Vibrations