Geometry & MOs

Info

ID:

221541

PubChem CID:

85279314

Reduced:

NS2O18C42H47 (1)

Stoich.:

AB2C18D42E47 (1)

Weight, g/mol:

1004.613283

ΔHf, kcal/mol:

-652.5

Dipole, Da:

9.09

IP(EA), eV:

 -9.33(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[[3-(4-methoxyphenyl)-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-[3-methyl-2-[methyl-[2-[methyl(2-methyloct-7-enoyl)amino]propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)COS(=O)(=O)O)OCC3=CC=CC=C3)OC4C(C(C(C(O4)C(=O)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OS(=O)(=O)O

DOS

IR

Vibrations