Geometry & MOs

Info

ID:	252332
PubChem CID:	103110631
Reduced:	BrN2O2S2C13H15 (1)
Stoich.:	AB2C2D2E13F15 (1)
Weight, g/mol:	371.99434
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	3.49
IP(EA), eV:	-8.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-4-bromo-2-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NCC2=C(C(=CC=C2)N)C)Br

DOS

IR

Vibrations