Geometry & MOs

Info

ID:	25689
PubChem CID:	629186
Reduced:	ClN2O5H7C14 (1)
Stoich.:	AB2C5D7E14 (1)
Weight, g/mol:	498.246497
ΔH_f, kcal/mol:	-28.32
Dipole, Da:	7.07
IP(EA), eV:	-9.81(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3,5-diacetyloxy-2-(3,8-diacetyloxyoct-1-enyl)cyclopentyl]propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C2=CC=C(O2)C=C(C#N)C(=O)O)Cl

DOS

IR

Vibrations