Geometry & MOs

Info

ID:

214630

PubChem CID:

85083305

Reduced:

ClSO3N6H25C28 (1)

Stoich.:

ABC3D6E25F28 (1)

Weight, g/mol:

561.264607

ΔHf, kcal/mol:

5.49

Dipole, Da:

1.83

IP(EA), eV:

 -9.4(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[[3-carboxy-1-[(1-carboxy-2-methylpropyl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC2C(SC3=NN=C(N3C2=O)C4=CC=CC=C4Cl)C5=CC=CC=C5)NC(=O)CN

DOS

IR

Vibrations