Geometry & MOs

Info

ID:	3267
PubChem CID:	9416
Reduced:	O3C26H40 (1)
Stoich.:	A3B26C40 (1)
Weight, g/mol:	400.297745
ΔH_f, kcal/mol:	-188.42
Dipole, Da:	5.99
IP(EA), eV:	-9.77(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

DOS

IR

Vibrations