Geometry & MOs

Info

ID:

378151

PubChem CID:

134224225

Reduced:

FO2N4C32H37 (1)

Stoich.:

AB2C4D32E37 (1)

Weight, g/mol:

912.326323

ΔHf, kcal/mol:

27.56

Dipole, Da:

2.47

IP(EA), eV:

 -8.62(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (5Z,6S)-5-ethylidene-4-[2-[2-[4-[2-[(2S,3Z)-3-ethylidene-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]acetyl]oxyphenyl]ethoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C=C1C/C=C/C(=C)NC(C)(CC)C3=NOC=N3)C(=C(O2)C4=CCC=C(C=C4)F)C(=C)NC

DOS

IR

Vibrations