Geometry & MOs

Info

ID:	18588
PubChem CID:	543591
Reduced:	O7C23H30 (1)
Stoich.:	A7B23C30 (1)
Weight, g/mol:	418.199153
ΔH_f, kcal/mol:	-288.51
Dipole, Da:	8.99
IP(EA), eV:	-10.12(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,12,18-trihydroxy-10,14-dimethyl-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-13-one

Drug info:

PubChemData

Smile

CC12CCC(CC1CC3C4(C2C(C(=O)C5(C4(CCC5C6=CC(=O)OC6)O)C)O)O3)O

DOS

IR

Vibrations