Geometry & MOs

Info

ID:	301911
PubChem CID:	123100372
Reduced:	BrFNSO2C9H9 (1)
Stoich.:	ABCDE2F9G9 (1)
Weight, g/mol:	378.080491
ΔH_f, kcal/mol:	-97.15
Dipole, Da:	3.83
IP(EA), eV:	-8.85(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(benzylamino)-2-oxoethyl]sulfinyl-N-(2-chlorophenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)CS(=O)CC(=O)N

DOS

IR

Vibrations