Geometry & MOs

Info

ID:

329287

PubChem CID:

126734066

Reduced:

N5O5C20H23 (1)

Stoich.:

A5B5C20D23 (1)

Weight, g/mol:

1472.525083

ΔHf, kcal/mol:

-100.8

Dipole, Da:

2.95

IP(EA), eV:

 -9.1(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[2,4-diacetyloxy-3-[3,4-dibenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxy-1-hydroxy-5-methyl-6-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyhexoxy]nonanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=CC(=N2)C=O)C(=O)NC3CCN(C3)N4CCOCC4=O

DOS

IR

Vibrations