Geometry & MOs

Info

ID:	20542
PubChem CID:	584547
Reduced:	O3C12H16 (2)
Stoich.:	A3B12C16 (2)
Weight, g/mol:	416.219889
ΔH_f, kcal/mol:	-266.2
Dipole, Da:	6.93
IP(EA), eV:	-9.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O

DOS

IR

Vibrations