Geometry & MOs

Info

ID:	247933
PubChem CID:	103077613
Reduced:	BrClFSN2O2C12H13 (1)
Stoich.:	ABCDE2F2G12H13 (1)
Weight, g/mol:	395.94587
ΔH_f, kcal/mol:	-66.21
Dipole, Da:	5.78
IP(EA), eV:	-9.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-5-chloro-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C=CCN(C1CC1)S(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl

DOS

IR

Vibrations