Geometry & MOs

Info

ID:

215273

PubChem CID:

85084462

Reduced:

ClN6O9C39H57 (1)

Stoich.:

AB6C9D39E57 (1)

Weight, g/mol:

789.474875

ΔHf, kcal/mol:

-411.44

Dipole, Da:

4.18

IP(EA), eV:

 -9.17(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-4-[[6-amino-1-[[1-[[1-[[2-[[1-[(1-amino-1-oxohexan-2-yl)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]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NN(CC1=CC=C(C=C1)O)C(=O)CCl)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations