Geometry & MOs

Info

ID:

432604

PubChem CID:

135172739

Reduced:

F3N3O3H24C26 (1)

Stoich.:

A3B3C3D24E26 (1)

Weight, g/mol:

1005.562056

ΔHf, kcal/mol:

-192.43

Dipole, Da:

4.53

IP(EA), eV:

 -9.02(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-(aminomethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-(4-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C(=O)COC5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations