Geometry & MOs

Info

ID:	21037
PubChem CID:	586898
Reduced:	O6C31H48 (1)
Stoich.:	A6B31C48 (1)
Weight, g/mol:	516.345089
ΔH_f, kcal/mol:	-344.92
Dipole, Da:	4.6
IP(EA), eV:	-9.5(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(19-acetyloxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl) acetate

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)OC(=O)C)C)OC(=O)C)C)C)OC1

DOS

IR

Vibrations