Geometry & MOs

Info

ID:	124469
PubChem CID:	50884853
Reduced:	N4O8H24C27 (1)
Stoich.:	A4B8C24D27 (1)
Weight, g/mol:	359.021206
ΔH_f, kcal/mol:	-243.87
Dipole, Da:	5.76
IP(EA), eV:	-9.68(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C(=CC2=CC=CC=C2OCOC3=CC=CC=C3C=C4C(=O)N(C(=O)N(C4=O)C)C)C(=O)N(C1=O)C

DOS

IR

Vibrations