Geometry & MOs

Info

ID:	277253
PubChem CID:	103827496
Reduced:	BrFSN2O3C11H14 (1)
Stoich.:	ABCD2E3F11G14 (1)
Weight, g/mol:	308.039769
ΔH_f, kcal/mol:	-166.13
Dipole, Da:	5.01
IP(EA), eV:	-9.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CCC(C(=O)NC1=C(C=CC(=C1)F)Br)N

DOS

IR

Vibrations