Geometry & MOs

Info

ID:	205735
PubChem CID:	80147548
Reduced:	BrIOSH4C6 (1)
Stoich.:	ABCDE4F6 (1)
Weight, g/mol:	247.137242
ΔH_f, kcal/mol:	13.0
Dipole, Da:	2.37
IP(EA), eV:	-9.69(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[bis(prop-2-enyl)amino]-5-fluoro-4-methylphenyl]ethanone

Drug info:

PubChemData

Smile

C1=C(SC=C1C(=O)CBr)I

DOS

IR

Vibrations