Geometry & MOs

Info

ID:

324515

PubChem CID:

126677796

Reduced:

ClON5H22C25 (1)

Stoich.:

ABC5D22E25 (1)

Weight, g/mol:

737.295391

ΔHf, kcal/mol:

88.17

Dipole, Da:

4.3

IP(EA), eV:

 -8.46(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-methyl-N-[1-[methyl-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]phosphanyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3=CC(=NC(=C3N=NC4=CC=C(C=C4)Cl)N)N

DOS

IR

Vibrations