Geometry & MOs

Info

ID:	45965
PubChem CID:	10519832
Reduced:	ClN3O4H12C14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	322.105253
ΔH_f, kcal/mol:	-26.86
Dipole, Da:	6.77
IP(EA), eV:	-9.87(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1R,4R,11R,13R,14S)-5-oxo-10,12-dioxatetracyclo[6.4.2.01,11.04,13]tetradec-8-ene-13,14-dicarboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations