Geometry & MOs

Info

ID:

43758

PubChem CID:

10321746

Reduced:

SO2N4H22C26 (1)

Stoich.:

AB2C4D22E26 (1)

Weight, g/mol:

454.235539

ΔHf, kcal/mol:

53.38

Dipole, Da:

4.46

IP(EA), eV:

 -9.26(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,3aS,4R,7S)-7-[(2E,4E,6E)-6,8-dimethyldeca-2,4,6-trienoyl]oxy-3-(2-formylprop-2-enyl)-3a-methyl-2-oxo-4,5,6,7-tetrahydro-3H-indene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(CCN)C3=CN=CC(=C3)C4=CC5=C(C=C4)C=NC=C5

DOS

IR

Vibrations