Geometry & MOs

Info

ID:

309701

PubChem CID:

126555362

Reduced:

NO8C13H15 (1)

Stoich.:

AB8C13D15 (1)

Weight, g/mol:

694.245943

ΔHf, kcal/mol:

-306.52

Dipole, Da:

3.13

IP(EA), eV:

 -10.07(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(E,5S)-2-hydroxy-6-oxo-6-propan-2-yloxy-5-[[4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonylamino]hex-1-ene-1-diazonium

Drug info:

PubChemData

Smile

CC1=C(OC(=O)O1)COC(=O)NC(CCC(=O)C=C)C(=O)O

DOS

IR

Vibrations