Geometry & MOs

Info

ID:

448490

PubChem CID:

135291338

Reduced:

NO4C23H31 (2)

Stoich.:

AB4C23D31 (2)

Weight, g/mol:

1748.917791

ΔHf, kcal/mol:

-215.98

Dipole, Da:

10.06

IP(EA), eV:

 -9.07(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

[1-ethoxy-15-methoxy-4,6,8,10,12-pentakis(methoxycarbonyl)-14-methyl-15-oxopentadecan-2-yl]-[2-[2-[[1-[4-[hydroxy(phenyl)methyl]phenoxy]-14-methoxy-5,7,9,11-tetrakis(methoxycarbonyl)-13-methyl-14-oxotetradecan-3-yl]-(2-methoxyethyl)-methylazaniumyl]ethoxymethoxy]ethyl]-[3-[4-[hydroxy(phenyl)methyl]phenoxy]propyl]-methylazanium

Drug info:

PubChemData

Smile

CCOCC[N+](C)(CCCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)CCOCOCC[N+](C)(CCCOC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)CCOC

DOS

IR

Vibrations