Geometry & MOs

Info

ID:	25832
PubChem CID:	631492
Reduced:	N2S2O5C14H22 (1)
Stoich.:	A2B2C5D14E22 (1)
Weight, g/mol:	348.210073
ΔH_f, kcal/mol:	-178.89
Dipole, Da:	2.09
IP(EA), eV:	-9.66(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-10,13-dimethyl-6-oxo-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

DOS

IR

Vibrations