Geometry & MOs

Info

ID:	251117
PubChem CID:	103101602
Reduced:	SN2O6C12H16 (1)
Stoich.:	AB2C6D12E16 (1)
Weight, g/mol:	290.068491
ΔH_f, kcal/mol:	-226.33
Dipole, Da:	1.82
IP(EA), eV:	-9.76(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=CC=C(C=C1)OCC(=O)O

DOS

IR

Vibrations