Geometry & MOs

Info

ID:

151331

PubChem CID:

53801082

Reduced:

SO2N3C15H21 (1)

Stoich.:

AB2C3D15E21 (1)

Weight, g/mol:

798.336375

ΔHf, kcal/mol:

-37.81

Dipole, Da:

8.16

IP(EA), eV:

 -8.82(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(36),2,4,9,19,21,24,26(35),28(33),29,31-undecaen-13-yl) acetate

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)C)C#N

DOS

IR

Vibrations