Geometry & MOs

Info

ID:	391965
PubChem CID:	135011469
Reduced:	N6O6C33H46 (1)
Stoich.:	A6B6C33D46 (1)
Weight, g/mol:	476.313789
ΔH_f, kcal/mol:	-202.42
Dipole, Da:	5.24
IP(EA), eV:	-9.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (5E,16E)-11,22-dioxocyclodocosa-5,16-diene-1,12-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)CCCCCCC[C@H](CN=[N+]=[N-])NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations