Geometry & MOs

Info

ID:

219309

PubChem CID:

85098652

Reduced:

N2O6C19H26 (2)

Stoich.:

A2B6C19D26 (2)

Weight, g/mol:

758.465038

ΔHf, kcal/mol:

-355.33

Dipole, Da:

8.99

IP(EA), eV:

 -9.17(-2.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)C(=O)OC)(C(=O)OC)O)C3=NN(N=N3)C)CCC(=C)C(C(C)CC4=CC=CC=C4)OC(=O)C)O

DOS

IR

Vibrations