Geometry & MOs

Info

ID:

47460

PubChem CID:

10532929

Reduced:

TeN2O6C26H31 (1)

Stoich.:

AB2C6D26E31 (1)

Weight, g/mol:

723.406795

ΔHf, kcal/mol:

-169.15

Dipole, Da:

2.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.125514

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(2R,3R)-1-[[(2S)-1-azido-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)N(/C=C/C1=[N+](C2=CC3=C(C=C2[Te]1)OCCOCCOCCOCCO3)C)C4=CC=CC=C4

DOS

IR

Vibrations