Geometry & MOs

Info

ID:

215257

PubChem CID:

85084440

Reduced:

SiN6O6C43H56 (1)

Stoich.:

AB6C6D43E56 (1)

Weight, g/mol:

781.349399

ΔHf, kcal/mol:

-137.08

Dipole, Da:

8.58

IP(EA), eV:

 -8.75(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[1-[[2-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC1CC(OC1N2C=NC3C2=NC(=NC3=O)N=CN(C)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC

DOS

IR

Vibrations