Geometry & MOs

Info

ID:

191888

PubChem CID:

78197828

Reduced:

N2O17C47H82 (1)

Stoich.:

A2B17C47D82 (1)

Weight, g/mol:

462.316583

ΔHf, kcal/mol:

-849.21

Dipole, Da:

4.25

IP(EA), eV:

 -8.92(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-amino-2-[[6-amino-2-(2,6-diaminohexanoylamino)hexoxy]carbonylamino]hexyl] hydrogen carbonate

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)CC)(C)OC(=O)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)OC4CC(C(C(O4)C)O)N)(C)O

DOS

IR

Vibrations