Geometry & MOs

Info

ID:

59254

PubChem CID:

24775840

Reduced:

SN2O6C31H50 (1)

Stoich.:

AB2C6D31E50 (1)

Weight, g/mol:

564.323308

ΔHf, kcal/mol:

-279.32

Dipole, Da:

1.58

IP(EA), eV:

 -8.89(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3S,8S,11R,13R,14S,18R)-8,13-dihydroxy-19-(2-hydroxyethyl)-9,9,11,14-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5-oxa-19-azabicyclo[16.1.0]nonadecane-6,10-dione

Drug info:

PubChemData

Smile

CC1CCCC2(C(N2CCO)CC(COC(=O)CC(C(C(=O)C(CC1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C

DOS

IR

Vibrations