Geometry & MOs

Info

ID:

47198

PubChem CID:

10530604

Reduced:

F3N3O7C25H34 (1)

Stoich.:

A3B3C7D25E34 (1)

Weight, g/mol:

545.346486

ΔHf, kcal/mol:

-446.54

Dipole, Da:

10.36

IP(EA), eV:

 -9.49(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2R)-4,4-dimethyl-1-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C[C@@H]2CC[C@@H]([C@H](O2)O[C@@H]3[C@H](C[C@@H]([C@@H]4[C@H]3OC(=O)N4C)OC)N)O)C(=O)C(F)(F)F

DOS

IR

Vibrations