Geometry & MOs

Info

ID:	297060
PubChem CID:	117607397
Reduced:	FOCl2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	435.207944
ΔH_f, kcal/mol:	-56.96
Dipole, Da:	1.47
IP(EA), eV:	-9.23(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,8S,11S,16R)-11-hydroxy-8-methyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC(=C)C=C

DOS

IR

Vibrations