Geometry & MOs

Info

ID:

404243

PubChem CID:

135065520

Reduced:

N2O3C12H16 (1)

Stoich.:

A2B3C12D16 (1)

Weight, g/mol:

520.28563

ΔHf, kcal/mol:

-98.38

Dipole, Da:

2.8

IP(EA), eV:

 -8.99(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,5S,7R,10S,11R,12S,16S,19R)-10-hydroxy-4,19,21,21-tetramethyl-2-methylidene-5-triethylsilyloxy-8,13,15,20-tetraoxahexacyclo[14.4.1.01,19.04,11.07,10.012,16]henicosan-14-one

Drug info:

PubChemData

Smile

CCOC(=O)C(NC=O)N(C)C1=CC=CC=C1

DOS

IR

Vibrations