Geometry & MOs

Info

ID:

46952

PubChem CID:

10528618

Reduced:

NSCl2H24C28 (1)

Stoich.:

ABC2D24E28 (1)

Weight, g/mol:

477.254895

ΔHf, kcal/mol:

87.98

Dipole, Da:

4.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.284411

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-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

Smile

CC(C)(C)C1=CC(=C(C(=C1)C2=CC=CC=C2)[N]SC3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4

DOS

IR

Vibrations