Geometry & MOs

Info

ID:	180417
PubChem CID:	76629536
Reduced:	ClN2O3C28H33 (1)
Stoich.:	AB2C3D28E33 (1)
Weight, g/mol:	490.293054
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	7.39
IP(EA), eV:	-8.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6'-(2-oxoheptadec-14-enyl)spiro[3,6,10-trioxatricyclo[5.3.0.02,4]decane-9,2'-oxane]-4',5-dione

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)OC3=C(C=C(C=C3)N4CCC5=C(C4=O)C=CC(=C5)OCC6CCC6)Cl

DOS

IR

Vibrations