Geometry & MOs

Info

ID:

134844

PubChem CID:

51767503

Reduced:

N3O5C30H41 (1)

Stoich.:

A3B5C30D41 (1)

Weight, g/mol:

523.304621

ΔHf, kcal/mol:

-204.87

Dipole, Da:

6.08

IP(EA), eV:

 -9.12(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2R)-2-[[(1S)-1-(4-hydroxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)O)N(C)C(=O)[C@H]2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations