Geometry & MOs

Info

ID:

219678

PubChem CID:

85164458

Reduced:

SiN4O9C24H36 (1)

Stoich.:

AB4C9D24E36 (1)

Weight, g/mol:

553.347549

ΔHf, kcal/mol:

-346.28

Dipole, Da:

14.21

IP(EA), eV:

 -9.38(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[1-[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-2-oxoacetyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(CN=[N+]=[N-])O)O)(C(=O)OC)OCC[Si](C)(C)C)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations