Geometry & MOs

Info

ID:	247952
PubChem CID:	103077733
Reduced:	BrClFN2O2S2C12H15 (1)
Stoich.:	ABCD2E2F2G12H15 (1)
Weight, g/mol:	417.95874
ΔH_f, kcal/mol:	-117.85
Dipole, Da:	4.57
IP(EA), eV:	-8.68(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-5-chloro-2-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1(CN(CCS1)S(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl)C

DOS

IR

Vibrations