Geometry & MOs

Info

ID:

214864

PubChem CID:

85083762

Reduced:

BrSi2O5C30H51 (1)

Stoich.:

AB2C5D30E51 (1)

Weight, g/mol:

628.16442

ΔHf, kcal/mol:

-358.58

Dipole, Da:

7.19

IP(EA), eV:

 -9.05(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[3-methoxy-3-oxo-2-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)amino]propyl]pyridin-3-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CC(C(C1C=CC(CCC2=CC=C(C=C2)Br)O[Si](C)(C)C(C)(C)C)CC(=O)O)O

DOS

IR

Vibrations