Geometry & MOs

Info

ID:

220183

PubChem CID:

85165335

Reduced:

PN2O9H33C36 (1)

Stoich.:

AB2C9D33E36 (1)

Weight, g/mol:

668.289409

ΔHf, kcal/mol:

-299.03

Dipole, Da:

6.26

IP(EA), eV:

 -9.46(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-diethoxyphosphorylacetate

Drug info:

PubChemData

Smile

COC(=O)C1(CC2C(C(=O)N2C1C(=O)OCC3=CC=CC=C3)NC(=O)CC4=CC=CC=C4)P(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6

DOS

IR

Vibrations