Geometry & MOs

Info

ID:

327606

PubChem CID:

126690496

Reduced:

N2O8C41H50 (1)

Stoich.:

A2B8C41D50 (1)

Weight, g/mol:

810.15505

ΔHf, kcal/mol:

-279.59

Dipole, Da:

6.2

IP(EA), eV:

 -8.61(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-[4-[2,2-dihydroxyethyl-[[4-[3-[4-(4-methylphenyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]carbamoyl]anilino]-2-oxoethyl]-3-methoxyphenyl] hypoiodite

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C(=O)O/C(=C/C(C)C)/C=C\CCN(CC(=O)O)C(=O)C2=CC=C(C=C2)NCC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations