Geometry & MOs

Info

ID:

150678

PubChem CID:

53790372

Reduced:

NO2C17H19 (1)

Stoich.:

AB2C17D19 (1)

Weight, g/mol:

708.275771

ΔHf, kcal/mol:

-43.76

Dipole, Da:

3.37

IP(EA), eV:

 -9.29(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl (4S,5R)-4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(diphenoxyphosphoryloxymethyl)-7-oxo-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1CN[C@@H](C1O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

DOS

IR

Vibrations