Geometry & MOs

Info

ID:	277464
PubChem CID:	103828762
Reduced:	BrFSN2O2C13H18 (1)
Stoich.:	ABCD2E2F13G18 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-114.15
Dipole, Da:	6.08
IP(EA), eV:	-9.72(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(3-hydroxy-N-methylanilino)acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNS(=O)(=O)C2=CC(=C(C=C2)Br)F)N

DOS

IR

Vibrations