Geometry & MOs

Info

ID:

147091

PubChem CID:

53786744

Reduced:

ON3C23H33 (1)

Stoich.:

AB3C23D33 (1)

Weight, g/mol:

798.287649

ΔHf, kcal/mol:

-1.07

Dipole, Da:

1.72

IP(EA), eV:

 -8.58(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-2-oxo-5-[4-[(2,2,2-trifluoroacetyl)amino]but-1-enyl]pyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)CCN1CCN(CC1C2=CC=CC=C2)CC3=CC=C(C=C3)O

DOS

IR

Vibrations