Geometry & MOs

Info

ID:

219282

PubChem CID:

85098431

Reduced:

ISiN2O6C32H35 (1)

Stoich.:

ABC2D6E32F35 (1)

Weight, g/mol:

701.234233

ΔHf, kcal/mol:

-223.45

Dipole, Da:

6.58

IP(EA), eV:

 -9.01(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-aminoacetyl)amino]-3-hydroxy-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3C(CC(O3)N4CC(C(=O)NC4=O)I)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations