Geometry & MOs

Info

ID:

160874

PubChem CID:

57390086

Reduced:

ClSN3O4C24H24 (1)

Stoich.:

ABC3D4E24F24 (1)

Weight, g/mol:

715.299261

ΔHf, kcal/mol:

-94.42

Dipole, Da:

6.37

IP(EA), eV:

 -8.31(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,7-diacetyloxy-14-benzoyloxy-5,9-dimethyl-4-propanoyloxy-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCN1/C(=C/2\C3=C(C=CC(=C3)Cl)NC2=O)/SC(=CC4=C(C=C(C=C4)OC)OC)C1=O

DOS

IR

Vibrations