Geometry & MOs

Info

ID:	292282
PubChem CID:	114808842
Reduced:	BrSN2O2C11H15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-47.05
Dipole, Da:	4.56
IP(EA), eV:	-9.3(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(3-fluorophenyl)propan-2-ylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NS(=O)(=O)NC2CC2)C)Br

DOS

IR

Vibrations