Geometry & MOs

Info

ID:

218618

PubChem CID:

85089697

Reduced:

ClFPN2O5C22H27 (1)

Stoich.:

ABCD2E5F22G27 (1)

Weight, g/mol:

485.042593

ΔHf, kcal/mol:

-282.4

Dipole, Da:

7.36

IP(EA), eV:

 -9.35(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 6-(3-ethoxy-3-oxoprop-1-ynyl)-3,3-dimethyl-7-oxo-6-(trifluoromethylsulfonyloxy)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CCC1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)CP(=O)(O)O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations