Geometry & MOs

Info

ID:

220187

PubChem CID:

85165339

Reduced:

SN2O6C39H44 (1)

Stoich.:

AB2C6D39E44 (1)

Weight, g/mol:

668.385679

ΔHf, kcal/mol:

-194.35

Dipole, Da:

4.07

IP(EA), eV:

 -8.76(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-hydroxy-4-phenylpiperidin-1-yl)-7-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-chromen-4-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C(=O)OC)SCC4=CC=C(C=C4)OC

DOS

IR

Vibrations