Geometry & MOs

Info

ID:

190370

PubChem CID:

77992951

Reduced:

FON6C31H31 (1)

Stoich.:

ABC6D31E31 (1)

Weight, g/mol:

1190.546402

ΔHf, kcal/mol:

45.04

Dipole, Da:

9.56

IP(EA), eV:

 -8.91(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[[3-carboxy-1-[[1-[[1-[[1-[[2-[[1-[(1-carboxy-3-methylsulfanylpropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CC2=NN=C(N2C3=C1C=C(C=C3)NC(=O)CN4CCN(CC4)CC=CC5=CC=CC=C5)C6=CC=CC=C6F

DOS

IR

Vibrations