Geometry & MOs

Info

ID:	124511
PubChem CID:	50885805
Reduced:	NO3H11C15 (2)
Stoich.:	AB3C11D15 (2)
Weight, g/mol:	426.106316
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	8.56
IP(EA), eV:	-9.05(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 5-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4)C5=CC=CC(=C5)C(=O)O

DOS

IR

Vibrations