Geometry & MOs

Info

ID:	155224
PubChem CID:	56322760
Reduced:	BrClN3O4H17C21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	321.119878
ΔH_f, kcal/mol:	-75.58
Dipole, Da:	2.8
IP(EA), eV:	-8.04(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-N-(2-fluorophenyl)-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations