Geometry & MOs

Info

ID:

51216

PubChem CID:

12013856

Reduced:

S2F3O4C19H33 (1)

Stoich.:

A2B3C4D19E33 (1)

Weight, g/mol:

812.18586

ΔHf, kcal/mol:

-336.52

Dipole, Da:

13.73

IP(EA), eV:

 -9.26(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-N-[11,23-dibromo-17-[tert-butyl(hydroxy)amino]-25,26,27,28-tetramethoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]hydroxylamine

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2OCC(C)(C)C)S(C)(C=C)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations