Geometry & MOs

Info

ID:

59130

PubChem CID:

24771123

Reduced:

SO3N4C22H22 (1)

Stoich.:

AB3C4D22E22 (1)

Weight, g/mol:

699.208253

ΔHf, kcal/mol:

-25.86

Dipole, Da:

7.83

IP(EA), eV:

 -8.35(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-chloro-19,22,26-trihydroxy-15-methoxy-6-methyl-7-propyl-21-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-17-oxa-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),4(9),7,12,15,18(23),25-octaene-3,10-dione

Drug info:

PubChemData

Smile

CCN(CCC(=O)N)C1=CC=CC2=C1C=NN2S(=O)(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations