Geometry & MOs

Info

ID:

215003

PubChem CID:

85083981

Reduced:

SiN2O8C36H48 (1)

Stoich.:

AB2C8D36E48 (1)

Weight, g/mol:

664.34069

ΔHf, kcal/mol:

-249.1

Dipole, Da:

7.39

IP(EA), eV:

 -8.93(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-2-[1-[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]-6-oxo-3,3a,4,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrol-5-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCCCC=C(C1=C(N2C(C1)C(C2=O)C(C)O[Si](C)(C)C(C)(C)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OCOCC4=CC=CC=C4

DOS

IR

Vibrations