Geometry & MOs

Info

ID:	207190
PubChem CID:	80357761
Reduced:	BrO2S2N4C10H13 (1)
Stoich.:	AB2C2D4E10F13 (1)
Weight, g/mol:	256.043025
ΔH_f, kcal/mol:	-4.08
Dipole, Da:	4.24
IP(EA), eV:	-8.52(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC2=C(C(=NN2C)C)N)Br

DOS

IR

Vibrations