Geometry & MOs

Info

ID:	181382
PubChem CID:	76739631
Reduced:	N3O5C32H37 (1)
Stoich.:	A3B5C32D37 (1)
Weight, g/mol:	405.154943
ΔH_f, kcal/mol:	-145.82
Dipole, Da:	8.03
IP(EA), eV:	-8.37(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[5-(2,2-diethyl-4,6-dioxo-1,3-dioxan-5-ylidene)penta-1,3-dienyl]-2,2-diethyl-6-oxo-1,3-dioxin-4-olate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NC4CCCC(C4)OCC(=O)OC(C)(C)C)C5=CC=CC=C5

DOS

IR

Vibrations