Geometry & MOs

Info

ID:

223005

PubChem CID:

85333839

Reduced:

N7O9C48H53 (1)

Stoich.:

A7B9C48D53 (1)

Weight, g/mol:

872.450451

ΔHf, kcal/mol:

-310.29

Dipole, Da:

4.52

IP(EA), eV:

 -8.43(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-4-[[1-[[1-[[1-[[1-[[1-(1-carboxyethylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CCC(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)N)C(=O)NC(CC6=CC=CC=C6)C(=O)O

DOS

IR

Vibrations