Geometry & MOs

Info

ID:

302419

PubChem CID:

124361661

Reduced:

N4O7C27H40 (1)

Stoich.:

A4B7C27D40 (1)

Weight, g/mol:

515.299536

ΔHf, kcal/mol:

-343.51

Dipole, Da:

5.42

IP(EA), eV:

 -9.58(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-3-methyl-2-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations