Geometry & MOs

Info

ID:

394466

PubChem CID:

135023031

Reduced:

NSiF3O4C23H32 (1)

Stoich.:

ABC3D4E23F32 (1)

Weight, g/mol:

1422.483986

ΔHf, kcal/mol:

-368.61

Dipole, Da:

8.55

IP(EA), eV:

 -9.26(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[3,5-bis[[[(1R)-1-carboxy-2-tritylsulfanylethyl]carbamoylamino]methyl]-2,4,6-trimethoxyphenyl]methylcarbamoylamino]-3-tritylsulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H](C=C)[C@H](CC(F)(F)F)C(=O)N1[C@H](COC1=O)CC2=CC=CC=C2

DOS

IR

Vibrations