Geometry & MOs

Info

ID:	251041
PubChem CID:	103101069
Reduced:	SF2N3O3C10H13 (1)
Stoich.:	AB2C3D3E10F13 (1)
Weight, g/mol:	247.07391
ΔH_f, kcal/mol:	-197.27
Dipole, Da:	5.9
IP(EA), eV:	-9.4(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations