Geometry & MOs

Info

ID:	149895
PubChem CID:	53789577
Reduced:	BrClNC6H7 (1)
Stoich.:	ABCD6E7 (1)
Weight, g/mol:	493.249809
ΔH_f, kcal/mol:	25.04
Dipole, Da:	3.88
IP(EA), eV:	-8.26(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

Drug info:

PubChemData

Smile

CN1CC=CC(=C1Cl)Br

DOS

IR

Vibrations