Geometry & MOs

Info

ID:	147640
PubChem CID:	53787296
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	442.00384
ΔH_f, kcal/mol:	-88.42
Dipole, Da:	2.03
IP(EA), eV:	-9.72(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenyl] acetate

Drug info:

PubChemData

Smile

CCCCCC=CCC(=C)C(=O)OC

DOS

IR

Vibrations