Geometry & MOs

Info

ID:

233129

PubChem CID:

87692440

Reduced:

NO8C18H31 (1)

Stoich.:

AB8C18D31 (1)

Weight, g/mol:

1105.391658

ΔHf, kcal/mol:

-348.36

Dipole, Da:

5.43

IP(EA), eV:

 -10.96(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-amino-7-[carboxy-[6-(2-hydroxyethyl)-4,5-dioxo-3-phenylmethoxypyridin-2-yl]amino]-4-[3-[carboxy-[6-(2-hydroxyethyl)-4,5-dioxo-3-phenylmethoxypyridin-2-yl]amino]propyl]heptyl]-[6-(2-hydroxyethyl)-4,5-dioxo-3-phenylmethoxypyridin-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCC(CCC(=O)O)(CCC(=O)OC(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations