Geometry & MOs

Info

ID:	213425
PubChem CID:	81063667
Reduced:	BrFSN2O4C12H16 (1)
Stoich.:	ABCD2E4F12G16 (1)
Weight, g/mol:	318.136176
ΔH_f, kcal/mol:	-181.88
Dipole, Da:	6.47
IP(EA), eV:	-9.29(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyethyl)-N-methyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CC(=C(C=C1F)Br)S(=O)(=O)N

DOS

IR

Vibrations