Geometry & MOs

Info

ID:

426932

PubChem CID:

135154596

Reduced:

PF3O5N7C25H35 (1)

Stoich.:

AB3C5D7E25F35 (1)

Weight, g/mol:

641.199381

ΔHf, kcal/mol:

-356.42

Dipole, Da:

3.86

IP(EA), eV:

 -8.84(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-amino-4-[3-(3-cyanophenyl)phenyl]-4-(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)(C)N[P@@](=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)N[C@H](C3=CC(=CC=C3)OC)C(F)(F)F

DOS

IR

Vibrations