Geometry & MOs

Info

ID:

382553

PubChem CID:

134973791

Reduced:

NO6C26H37 (1)

Stoich.:

AB6C26D37 (1)

Weight, g/mol:

633.297153

ΔHf, kcal/mol:

-211.12

Dipole, Da:

3.12

IP(EA), eV:

 -7.98(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 1-butyl-4-[(1S)-1-(furan-2-yl)ethyl]-7-(methoxymethoxy)-2-[2-(4-methylphenyl)sulfonyloxyethyl]-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

CCCCC12C=C(/C(=C/C3=CC=CO3)/C(N1C(=O)OC(C)(C)C)CC2OCOC)OCC=C

DOS

IR

Vibrations