Geometry & MOs

Info

ID:	804
PubChem CID:	3375
Reduced:	F2O5C22H28 (1)
Stoich.:	A2B5C22D28 (1)
Weight, g/mol:	410.19048
ΔH_f, kcal/mol:	-310.7
Dipole, Da:	8.85
IP(EA), eV:	-9.81(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F

DOS

IR

Vibrations