Geometry & MOs

Info

ID:	168963
PubChem CID:	75046493
Reduced:	INO3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	459.262088
ΔH_f, kcal/mol:	-35.94
Dipole, Da:	4.88
IP(EA), eV:	-9.49(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-hydroxy-5-methyl-7-(3-methyl-12-oxo-1-oxacyclododeca-4,6-dien-2-yl)-4-oxooct-6-enyl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1C=CC=C2C1=NC3=C(C2=O)C=CC(=C3)I

DOS

IR

Vibrations