Geometry & MOs

Info

ID:

215002

PubChem CID:

85083979

Reduced:

NO3H18C21 (2)

Stoich.:

AB3C18D21 (2)

Weight, g/mol:

664.317993

ΔHf, kcal/mol:

-133.73

Dipole, Da:

5.29

IP(EA), eV:

 -8.84(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-3-[1-(phenylmethoxymethoxy)hex-1-enyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC(COC(=O)C1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)C(=O)OCC(C5=CC=CC=C5)NC(=O)C)C6=CC=CC=C6

DOS

IR

Vibrations