Geometry & MOs

Info

ID:	184494
PubChem CID:	77169113
Reduced:	Br2O5C38H60 (1)
Stoich.:	A2B5C38D60 (1)
Weight, g/mol:	306.199508
ΔH_f, kcal/mol:	-338.77
Dipole, Da:	6.16
IP(EA), eV:	-9.74(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-fluoro-11-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC12CCC(CC1CCC3C2CCC4(C3CC(C4=O)Br)C)O.CC12CCC(CC1CCC3C2CCC4(C3CC(C4=O)Br)C)O.O

DOS

IR

Vibrations