Geometry & MOs

Info

ID:	217146
PubChem CID:	85087324
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	336.119544
ΔH_f, kcal/mol:	-53.47
Dipole, Da:	5.17
IP(EA), eV:	-8.62(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonyl fluoride

Drug info:

PubChemData

Smile

CC1C23CCN1C(C(=C2NC4=CC=CC=C34)C(=O)OC)C5=COC=C5

DOS

IR

Vibrations