Geometry & MOs

Info

ID:

340901

PubChem CID:

127263336

Reduced:

O2N3C10H12 (2)

Stoich.:

A2B3C10D12 (2)

Weight, g/mol:

1195.724332

ΔHf, kcal/mol:

-56.18

Dipole, Da:

4.74

IP(EA), eV:

 -8.87(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-[2-[2-[[2-[2-[2-[[5-[(2-methylpropan-2-yl)oxy]-4-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CN1C=C2C=C(C=CC2=N1)CN.CN1C=C2C=C(C=CC2=N1)CN.C(=O)(C(=O)O)O

DOS

IR

Vibrations