Geometry & MOs

Info

ID:

328481

PubChem CID:

126723205

Reduced:

ClSO3N6C22H29 (1)

Stoich.:

ABC3D6E22F29 (1)

Weight, g/mol:

983.597006

ΔHf, kcal/mol:

33.37

Dipole, Da:

3.37

IP(EA), eV:

 -6.88(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5R,8S,10S,11E,13E,15E,17S,19R,21R,22S,23E,25R,28S)-4,22-dihydroxy-10,21-dimethoxy-28-[1-[(1S,3R,4R)-3-methoxy-4-(3-oxobutoxy)cyclohexyl]propan-2-yl]-5,11,17,19,23,25-hexamethyl-29,36-dioxa-1-azatricyclo[29.3.1.14,8]hexatriaconta-11,13,15,23-tetraene-2,3,20,26,30-pentone

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1)C2=C(N=C(N=N2)C3=NN(C4=C3C=CC(=N4)C)COCCS(C)(C)C)Cl

DOS

IR

Vibrations