Geometry & MOs

Info

ID:

128371

PubChem CID:

51041688

Reduced:

NF3O3H18C24 (1)

Stoich.:

AB3C3D18E24 (1)

Weight, g/mol:

1659.764113

ΔHf, kcal/mol:

-175.69

Dipole, Da:

6.45

IP(EA), eV:

-9.52(-1.13)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[[4-[(2S)-3-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]-1-oxopropan-2-yl]amino]-2-[[(2S)-2-[[(2R)-2-[[3-(4-chlorophenyl)-2-[4-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-oxopropyl]phenyl]methyl-(2-carboxyethyl)amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CON2C(=O)C(C3=CC=CC=C3C2=O)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations