Geometry & MOs

Info

ID:	46967
PubChem CID:	10528686
Reduced:	OSN4C22H30 (1)
Stoich.:	ABC4D22E30 (1)
Weight, g/mol:	479.234159
ΔH_f, kcal/mol:	36.33
Dipole, Da:	2.8
IP(EA), eV:	-8.53(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,7S,10R,11S,16R)-7,11-dihydroxy-8,8,10-trimethyl-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

CCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCSC(=N)N

DOS

IR

Vibrations