Geometry & MOs

Info

ID:

376884

PubChem CID:

134222914

Reduced:

SN3H33C47 (1)

Stoich.:

AB3C33D47 (1)

Weight, g/mol:

954.099508

ΔHf, kcal/mol:

234.94

Dipole, Da:

4.33

IP(EA), eV:

 -8.14(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[6-[[1-[3-[(2,2-dichloroacetyl)amino]propanoyloxy]-2-[3-[(2,2-dichloroacetyl)amino]propanoyloxymethyl]-3-(2,2-dichloroacetyl)oxypropan-2-yl]amino]-6-oxohexyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

C/C=C(\C=C/C=C)/C1=NC(=NC(=C1)C2=CC=CC=C2)C3=CC4=C(C=C3)SC5=C4C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9

DOS

IR

Vibrations