Geometry & MOs

Info

ID:

220045

PubChem CID:

85165181

Reduced:

NO3H37C45 (1)

Stoich.:

AB3C37D45 (1)

Weight, g/mol:

639.408402

ΔHf, kcal/mol:

54.17

Dipole, Da:

1.96

IP(EA), eV:

 -8.87(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 2-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-[2-oxo-2-(oxolan-2-yl)ethyl]azetidin-1-yl]-2-(tributyl-lambda5-phosphanylidene)acetate

Drug info:

PubChemData

Smile

C1C(=C(C(N1C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)CC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations