Geometry & MOs

Info

ID:

46339

PubChem CID:

10523945

Reduced:

PSN2O8C12H19 (1)

Stoich.:

ABC2D8E12F19 (1)

Weight, g/mol:

382.178024

ΔHf, kcal/mol:

-401.28

Dipole, Da:

1.65

IP(EA), eV:

 -9.64(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(16R,17S)-16-ethyl-10,10,17-trimethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione

Drug info:

PubChemData

Smile

COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)OP(=S)(OC)OC

DOS

IR

Vibrations