Geometry & MOs

Info

ID:

322525

PubChem CID:

126670371

Reduced:

N5C16H21 (1)

Stoich.:

A5B16C21 (1)

Weight, g/mol:

727.330973

ΔHf, kcal/mol:

51.83

Dipole, Da:

4.23

IP(EA), eV:

-8.26(-0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4,5-dihydroxy-3-[[7-hydroxy-5-(1-hydroxyethylamino)-7-methyl-2-(2-sulfanylethoxymethyl)-3,8-dioxabicyclo[4.2.0]octan-4-yl]oxy]-6-propan-2-yloxyoxane-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1CCCNC)C3=CC=CC=C3N=C2N

DOS

IR

Vibrations