Geometry & MOs

Info

ID:

309615

PubChem CID:

126550919

Reduced:

SN2O2H34C57 (1)

Stoich.:

AB2C2D34E57 (1)

Weight, g/mol:

917.641271

ΔHf, kcal/mol:

263.23

Dipole, Da:

3.98

IP(EA), eV:

 -8.47(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-ethyl-N-[2-[[3-oxo-3-[3-[2-[2-[3-[[5-oxo-5-[3-[2-[2-[3-(3-piperidin-1-ylpropanoylamino)propoxy]ethoxy]ethoxy]propylamino]pentanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]propyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC12C=CC=CC1C3=C(C=C2)OC4=C3C5=CC=CC=C5C=C4C6=NC(=NC(=C6)C7=CC8=CC=CC=C8C9=C7OC1=C9C2=CC=CC=C2C=C1)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations