Geometry & MOs

Info

ID:

215572

PubChem CID:

85084921

Reduced:

SSiN2O16C52H76 (1)

Stoich.:

ABC2D16E52F76 (1)

Weight, g/mol:

1045.412515

ΔHf, kcal/mol:

-704.65

Dipole, Da:

4.62

IP(EA), eV:

 -9.37(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-[4-[1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl] 1-O-[2-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-6-oxooxan-4-yl] pentanedioate

Drug info:

PubChemData

Smile

CCOC(C)OC(C(C1=CSC=N1)NC(=O)OC(C)(C)C)C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O[Si](CC)(CC)CC)(C(C(C(=C2C)C3(C)C)OC(=O)C)O)C)OC(=O)C6=CC=CC=C6)O

DOS

IR

Vibrations