Geometry & MOs

Info

ID:	21939
PubChem CID:	593968
Reduced:	O4C10H11 (2)
Stoich.:	A4B10C11 (2)
Weight, g/mol:	390.131468
ΔH_f, kcal/mol:	-322.31
Dipole, Da:	10.04
IP(EA), eV:	-10.68(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 10,13-dioxo-9,14-dioxahexacyclo[10.6.0.01,15.04,8.04,11.08,15]octadecane-2,3-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1C(C23CCCC24C56C1(CCC5)C(C3C(=O)O4)C(=O)O6)C(=O)OC

DOS

IR

Vibrations