Geometry & MOs

Info

ID:

146849

PubChem CID:

53759561

Reduced:

ClSN2O2C23H27 (1)

Stoich.:

ABC2D2E23F27 (1)

Weight, g/mol:

720.314577

ΔHf, kcal/mol:

-22.32

Dipole, Da:

4.6

IP(EA), eV:

 -8.54(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,6S,7S,8S,10R,13S,14R,15S,16S,18S)-13-acetyloxy-8,16-dihydroxy-4,4,7,19,20,20-hexamethyl-18-phenylmethoxycarbonyloxy-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate

Drug info:

PubChemData

Smile

CCCCC1=CN=C2C(=C1NC3=CC=CC=C3Cl)C=CC=C2OCCCS(=O)C

DOS

IR

Vibrations