Geometry & MOs

Info

ID:	206300
PubChem CID:	80227261
Reduced:	BrS2N3O3C12H12 (1)
Stoich.:	AB2C3D3E12F12 (1)
Weight, g/mol:	251.132157
ΔH_f, kcal/mol:	-72.48
Dipole, Da:	5.95
IP(EA), eV:	-8.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-oxopentanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)NC2=CC=CC(=C2)NC(=O)N

DOS

IR

Vibrations