Geometry & MOs

Info

ID:	434874
PubChem CID:	135175886
Reduced:	SN2O2C6H8 (1)
Stoich.:	AB2C2D6E8 (1)
Weight, g/mol:	429.315541
ΔH_f, kcal/mol:	-17.29
Dipole, Da:	3.47
IP(EA), eV:	-10.08(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,5S,6R,8R,9S,10R,13R,14S,17S)-6-fluoro-3,5,9,13,14-pentamethyl-2,3,4,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(triazol-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)N2C=CC=N2

DOS

IR

Vibrations