Geometry & MOs

Info

ID:

328773

PubChem CID:

126727652

Reduced:

FO3N5C27H32 (1)

Stoich.:

AB3C5D27E32 (1)

Weight, g/mol:

533.185688

ΔHf, kcal/mol:

-54.45

Dipole, Da:

0.97

IP(EA), eV:

 -7.98(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6S)-6-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethylcarbamoyl]-4-(carbamoyloxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC/C(=C(\N=C/N=C)/OC2=CC=CC(=C2)NC(=C3CCC3)NC(=O)/C=C(/C(C)F)\N)/C=C1OC

DOS

IR

Vibrations