Geometry & MOs

Info

ID:	440890
PubChem CID:	135232049
Reduced:	O3C19H36 (1)
Stoich.:	A3B19C36 (1)
Weight, g/mol:	500.38656
ΔH_f, kcal/mol:	-188.16
Dipole, Da:	3.81
IP(EA), eV:	-9.79(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-3,10,13-trimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]heptan-3-yl] 4-oxopentanoate

Drug info:

PubChemData

Smile

CCCCCCC(C/C=C\CCCCCCCC(=O)CO)O

DOS

IR

Vibrations