Geometry & MOs

Info

ID:	59056
PubChem CID:	24770655
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	500.38656
ΔH_f, kcal/mol:	-60.91
Dipole, Da:	1.8
IP(EA), eV:	-8.75(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3S,4R,5R,6R,8S,11S,12S,15R,16R)-4,5-dihydroxy-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC=C1)OCC)CC=C

DOS

IR

Vibrations