Geometry & MOs

Info

ID:

214471

PubChem CID:

85083097

Reduced:

N2O6C31H42 (1)

Stoich.:

A2B6C31D42 (1)

Weight, g/mol:

538.200102

ΔHf, kcal/mol:

-211.16

Dipole, Da:

3.68

IP(EA), eV:

 -9.42(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxyethyl]-7-chloro-6-(methoxymethoxy)-2,8-dioxabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

CC(C)C=CC(C(C(C(C(=O)NC1CCCCNC1=O)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

DOS

IR

Vibrations