Geometry & MOs

Info

ID:

432803

PubChem CID:

135172940

Reduced:

N3O6C17H23 (1)

Stoich.:

A3B6C17D23 (1)

Weight, g/mol:

906.50667

ΔHf, kcal/mol:

-251.48

Dipole, Da:

5.47

IP(EA), eV:

 -9.47(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-[[(2S)-1-[[(2S)-1-[3-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]propylamino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3,4,4-trimethylhept-6-enoic acid

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)NC(C)C(=O)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations