Geometry & MOs

Info

ID:

412432

PubChem CID:

135085327

Reduced:

PN4O4F6C31H42 (1)

Stoich.:

AB4C4D6E31F42 (1)

Weight, g/mol:

534.320606

ΔHf, kcal/mol:

-590.48

Dipole, Da:

9.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.807438

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5S)-5-[[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]carbamoyl]pyrrolidin-3-yl] 5-(3-methyl-2H-imidazol-1-yl)pentanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)NC(=O)[C@@H]3C[C@H](CN3)OC(=O)CCCCN4CN(C=C4)C.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations