Geometry & MOs

Info

ID:

224083

PubChem CID:

85337954

Reduced:

SN5O5C29H33 (1)

Stoich.:

AB5C5D29E33 (1)

Weight, g/mol:

570.428425

ΔHf, kcal/mol:

-80.37

Dipole, Da:

8.19

IP(EA), eV:

 -8.94(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-(4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-yl) 1-O-methyl pentanedioate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC(CC2=NC(=O)C3=CC(=C=CCNC4CCC=N4)C=CC3=N2)C(=O)O)C)C

DOS

IR

Vibrations