Geometry & MOs

Info

ID:

186289

PubChem CID:

77414099

Reduced:

S2N3O9C15H17 (1)

Stoich.:

A2B3C9D15E17 (1)

Weight, g/mol:

814.168292

ΔHf, kcal/mol:

-231.08

Dipole, Da:

10.63

IP(EA), eV:

 -9.52(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(2-octylsulfinylpropyl)-1,3-benzodioxole;1,1,2-trichloroethyl 3-methyl-4-methylidene-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CN2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-].[O-]S(=O)(=O)[O-]

DOS

IR

Vibrations