Geometry & MOs

Info

ID:

313395

PubChem CID:

126614374

Reduced:

N3O5C20H30 (4)

Stoich.:

A3B5C20D30 (4)

Weight, g/mol:

1542.858534

ΔHf, kcal/mol:

-790.78

Dipole, Da:

11.76

IP(EA), eV:

 -8.44(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-[2-[[2-[2-[[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl-[2-[[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)NCCOCCOCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)NCCOCCOCCNC(=O)OC(C)(C)C)CC(=O)NCCOCCOCCNC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

DOS

IR

Vibrations