Geometry & MOs

Info

ID:	151297
PubChem CID:	53801018
Reduced:	BrPSN2O5C9H14 (1)
Stoich.:	ABCD2E5F9G14 (1)
Weight, g/mol:	268.126343
ΔH_f, kcal/mol:	-228.25
Dipole, Da:	5.11
IP(EA), eV:	-9.32(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-but-1-enyl-2-methylphenyl)-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CCOP(=O)(COC(=O)C1=C(SC(=N1)N)Br)OCC

DOS

IR

Vibrations