Geometry & MOs

Info

ID:	146187
PubChem CID:	53648851
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	412.297745
ΔH_f, kcal/mol:	-54.64
Dipole, Da:	3.07
IP(EA), eV:	-9.7(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,9S,13S,14S,17S)-13-methyl-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-cyclohexylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(C(C(=N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations