Geometry & MOs

Info

ID:	280164
PubChem CID:	103847304
Reduced:	BrO2S2N3C10H10 (1)
Stoich.:	AB2C2D3E10F10 (1)
Weight, g/mol:	283.019767
ΔH_f, kcal/mol:	-20.46
Dipole, Da:	5.51
IP(EA), eV:	-9.07(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1NS(=O)(=O)C2=CN=C(S2)C)Br

DOS

IR

Vibrations