Geometry & MOs

Info

ID:

45196

PubChem CID:

10509079

Reduced:

NSiS2F3O6C35H40 (1)

Stoich.:

ABC2D3E6F35G40 (1)

Weight, g/mol:

724.390811

ΔHf, kcal/mol:

-379.06

Dipole, Da:

7.57

IP(EA), eV:

 -8.86(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)C(F)(F)F)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

DOS

IR

Vibrations