Geometry & MOs

Info

ID:	86502
PubChem CID:	49886311
Reduced:	BrFSN3O3C9H11 (1)
Stoich.:	ABCD3E3F9G11 (1)
Weight, g/mol:	285.103479
ΔH_f, kcal/mol:	-144.12
Dipole, Da:	3.58
IP(EA), eV:	-9.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[benzyl(methylsulfonyl)amino]acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC(=O)NN)C1=C(C=C(C=C1)F)Br

DOS

IR

Vibrations