Geometry & MOs

Info

ID:	217660
PubChem CID:	85088179
Reduced:	O2C12H17 (2)
Stoich.:	A2B12C17 (2)
Weight, g/mol:	386.207735
ΔH_f, kcal/mol:	-170.57
Dipole, Da:	4.3
IP(EA), eV:	-9.28(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-fluoro-13-methyl-17-(2-trimethylsilylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

CC1CC=C2C(C1(C)CC(=O)C3=CC(=O)OC3O)CCCC2(C)CCC(=C)C

DOS

IR

Vibrations