Geometry & MOs

Info

ID:

44649

PubChem CID:

10505109

Reduced:

O6C29H42 (1)

Stoich.:

A6B29C42 (1)

Weight, g/mol:

486.170369

ΔHf, kcal/mol:

-265.79

Dipole, Da:

5.2

IP(EA), eV:

 -8.46(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[(3S,5S)-1-[(2S)-1-[(2S)-1-[(2S)-2-chloropropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-5-(methylcarbamoyl)pyrrolidin-3-yl] ethanethioate

Drug info:

PubChemData

Smile

CC(=CC(C(/C(=C/CC/C(=C/CC/C(=C\CC1=C(C(=CC(=C1)O)CC(=O)OC)O)/C)/C)/C)O)O)C

DOS

IR

Vibrations