Geometry & MOs

Info

ID:	387304
PubChem CID:	134984833
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	5.25
Dipole, Da:	6.26
IP(EA), eV:	-9.74(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,9S,13S,14S)-17-(acetyldiazenyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)NS(=O)(=O)C2=CC=CC=C2)N=[N+]=[N-]

DOS

IR

Vibrations