Geometry & MOs

Info

ID:

376928

PubChem CID:

134222961

Reduced:

SN4H30C46 (1)

Stoich.:

AB4C30D46 (1)

Weight, g/mol:

827.609577

ΔHf, kcal/mol:

246.63

Dipole, Da:

2.69

IP(EA), eV:

 -8.14(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[6-hydroxyhexyl-[3-[3-[3-[3-(4-methylpiperazin-1-yl)propylamino]propanoyloxy]propoxy]-3-oxopropyl]amino]propanoyloxy]pentyl 3-[3-(4-methylpiperazin-1-yl)propylamino]propanoate

Drug info:

PubChemData

Smile

C1C=C(N=C(C=C1C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC=N9)C1=CC=CC=N1

DOS

IR

Vibrations