Geometry & MOs

Info

ID:	190168
PubChem CID:	77960674
Reduced:	NO4C25H39 (1)
Stoich.:	AB4C25D39 (1)
Weight, g/mol:	416.256274
ΔH_f, kcal/mol:	-208.6
Dipole, Da:	2.53
IP(EA), eV:	-9.38(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,17-dihydroxy-6,10,13-trimethyl-17-(2-propan-2-yloxyacetyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCNC(=O)CCCCCCC1C(CC(C1C=CC(CCC2=CC=CC=C2)O)O)O

DOS

IR

Vibrations