Geometry & MOs

Info

ID:	52718
PubChem CID:	12015762
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	491.270545
ΔH_f, kcal/mol:	-67.83
Dipole, Da:	1.99
IP(EA), eV:	-8.81(2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7R,8S,9S,13E,16R)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

Drug info:

PubChemData

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C1C[C@@H]2CCCN3[C@@H]2[C@H](C1)COC3

DOS

IR

Vibrations