Geometry & MOs

Info

ID:	169181
PubChem CID:	75070921
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	714.434298
ΔH_f, kcal/mol:	27.91
Dipole, Da:	1.79
IP(EA), eV:	-8.67(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,6-diacetyloxy-11-(acetyloxymethyl)-5-hydroxy-3,11,14-trimethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexadecanoate

Drug info:

PubChemData

Smile

CN1C(CCCC1C2=CC=CC=C2)CCC3=CC=CC=C3

DOS

IR

Vibrations