Geometry & MOs

Info

ID:

221831

PubChem CID:

85286187

Reduced:

N2O3Si3C34H60 (1)

Stoich.:

A2B3C3D34E60 (1)

Weight, g/mol:

628.269369

ΔHf, kcal/mol:

-296.23

Dipole, Da:

1.49

IP(EA), eV:

 -8.44(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[4-(pyrrolidine-2-carbonylamino)phenyl]-[1-(pyrrolidin-1-ium-2-carbonyl)pyrrolidin-2-yl]phosphoryl]phenyl]pyrrolidine-2-carboxamide;chloride

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC(C(CCC1=NC=CC2=C1NC3=CC=CC=C23)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations