Geometry & MOs

Info

ID:	190007
PubChem CID:	77940146
Reduced:	O5C27H44 (1)
Stoich.:	A5B27C44 (1)
Weight, g/mol:	414.27701
ΔH_f, kcal/mol:	-288.34
Dipole, Da:	4.14
IP(EA), eV:	-10.06(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(15-hydroxy-10,14,16-trimethyl-7-oxo-15-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-enyl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1(C(C(C2C1(CCC3C2C4CC4C5(C3(CCC(C5)O)C)O)C)C)C)O

DOS

IR

Vibrations