Geometry & MOs

Info

ID:

215397

PubChem CID:

85084679

Reduced:

O10C55H58 (1)

Stoich.:

A10B55C58 (1)

Weight, g/mol:

878.275691

ΔHf, kcal/mol:

-237.08

Dipole, Da:

1.8

IP(EA), eV:

 -9.22(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 2-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[1-cyano-3-oxo-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-yl]-4-oxoazetidin-1-yl]-2-(triphenyl-lambda5-phosphanylidene)acetate

Drug info:

PubChemData

Smile

COC1C(C(C(C(=C)O1)OC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations