Geometry & MOs

Info

ID:

409748

PubChem CID:

135082533

Reduced:

SN2O4C11H12 (1)

Stoich.:

AB2C4D11E12 (1)

Weight, g/mol:

502.329439

ΔHf, kcal/mol:

-127.42

Dipole, Da:

4.41

IP(EA), eV:

 -10.3(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2Z,5S,6S,7S,9E,11S,13R,16S,17S)-2,6,13-trimethyl-16-propan-2-yl-5-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxytetracyclo[9.7.0.03,7.013,17]octadeca-2,9-diene-10-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)N(C(=O)N=C=O)S(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations