Geometry & MOs

Info

ID:

446239

PubChem CID:

135273394

Reduced:

ClNSO5C30H44 (1)

Stoich.:

ABCD5E30F44 (1)

Weight, g/mol:

574.318892

ΔHf, kcal/mol:

-226.54

Dipole, Da:

2.72

IP(EA), eV:

 -8.94(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

C[C@H]1/C=C/C/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)C([C@H]1O)CCCCCl)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C

DOS

IR

Vibrations