Geometry & MOs

Info

ID:

321491

PubChem CID:

126666317

Reduced:

SN3O4C44H59 (1)

Stoich.:

AB3C4D44E59 (1)

Weight, g/mol:

725.422629

ΔHf, kcal/mol:

-122.37

Dipole, Da:

6.91

IP(EA), eV:

 -8.16(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl (9E,12E,15E)-octadeca-9,12,15-trienoate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCN1C(=O)CC(C2=CC=CC=C21)OCCCCN3CCN(CC3)C4=C5C=CSC5=CC=C4

DOS

IR

Vibrations