Geometry & MOs

Info

ID:

185376

PubChem CID:

77291688

Reduced:

PN5O8C24H32 (1)

Stoich.:

AB5C8D24E32 (1)

Weight, g/mol:

846.254399

ΔHf, kcal/mol:

-350.27

Dipole, Da:

7.98

IP(EA), eV:

 -8.84(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-4-(2-nitrophenyl)sulfonyloxolan-2-yl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC3=C(N=CN=C32)N)(C)O)O)OC4=CC=CC=C4

DOS

IR

Vibrations