Geometry & MOs

Info

ID:

223220

PubChem CID:

85334703

Reduced:

N14O21C58H96 (1)

Stoich.:

A14B21C58D96 (1)

Weight, g/mol:

1324.626778

ΔHf, kcal/mol:

-1066.34

Dipole, Da:

11.76

IP(EA), eV:

 -8.86(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[1-[[1-[[1-[[1-[[5-amino-1-[[1-[[1-(carboxymethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[2-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]propanoylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)N2CCCC2C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations