Geometry & MOs

Info

ID:

134842

PubChem CID:

51767407

Reduced:

O2N3C34H43 (1)

Stoich.:

A2B3C34D43 (1)

Weight, g/mol:

523.304621

ΔHf, kcal/mol:

-39.21

Dipole, Da:

4.8

IP(EA), eV:

 -8.28(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2S)-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)N(C)C)N(C)C(=O)/C(=C\C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations