Geometry & MOs

Info

ID:

225199

PubChem CID:

85747898

Reduced:

NSiO3S3C21H27 (1)

Stoich.:

ABC3D3E21F27 (1)

Weight, g/mol:

763.426862

ΔHf, kcal/mol:

-171.96

Dipole, Da:

4.2

IP(EA), eV:

 -8.49(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[1-[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCO[Si](CC1=C(C=CC=C1SSC2=NC3=CC=CC=C3S2)C)(OCC)OCC

DOS

IR

Vibrations