Geometry & MOs

Info

ID:

321997

PubChem CID:

126667770

Reduced:

ClFN6C17H22 (1)

Stoich.:

ABC6D17E22 (1)

Weight, g/mol:

1548.858488

ΔHf, kcal/mol:

28.03

Dipole, Da:

2.78

IP(EA), eV:

-8.44(-0.11)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(3S,6R)-5-azido-6-[[(3S,4R,6R)-5-azido-6-[[(3S,4R,6S)-5-azido-4-butoxy-2-(butoxymethyl)-6-[6-(phenylmethoxycarbonylamino)hexoxy]oxan-3-yl]oxy-(3-methylpentan-3-ylamino)oxyphosphoryl]oxy-4-butoxy-2-(butoxymethyl)oxan-3-yl]oxy-(3-methylpentan-3-ylamino)oxyphosphoryl]oxy-4-butoxy-2-(butoxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1CN(CCC1N2C[C@H](C2CC3=CC=C(C=C3)Cl)F)C4=NNC(=N4)N

DOS

IR

Vibrations