Geometry & MOs

Info

ID:

219163

PubChem CID:

85091137

Reduced:

N5O13C27H43 (1)

Stoich.:

A5B13C27D43 (1)

Weight, g/mol:

646.253572

ΔHf, kcal/mol:

-633.64

Dipole, Da:

6.89

IP(EA), eV:

 -9.7(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6,9-difluoro-17-[2-(fluoromethylsulfanylmethyl)-4,4-dimethyl-3-oxido-1,3-oxazolidin-3-ium-2-yl]-10,13,16-trimethyl-11-nitrooxy-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)OC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)C(=O)NCC(=O)N)NC(=O)C

DOS

IR

Vibrations