Geometry & MOs

Info

ID:

223214

PubChem CID:

85334696

Reduced:

Cl2O31C56H80 (1)

Stoich.:

A2B31C56D80 (1)

Weight, g/mol:

1319.631722

ΔHf, kcal/mol:

-1393.07

Dipole, Da:

5.74

IP(EA), eV:

 -9.55(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-amino-1-[[5-amino-1-[[1-[[1-[[1-[[6-amino-1-[[1-[[4-amino-1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(=O)OC1C2C(COC1OC3C(C(C(C(O3)COC)OC4C(C(C(C(O4)C)OC)OC5CC6(C(C(O5)C)OC7(O6)CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C9=C(C(=C(C(=C9O)Cl)O)Cl)C)O)O)C)O)O)O)OC1(O2)C2C(C(C(O1)C)O)OCO2

DOS

IR

Vibrations