Geometry & MOs

Info

ID:	307327
PubChem CID:	125299592
Reduced:	ON2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	343.039355
ΔH_f, kcal/mol:	-9.24
Dipole, Da:	4.48
IP(EA), eV:	-9.05(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-5-[(3-chlorophenyl)methylsulfamoyl]-3-methyl-3H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CNCC2=C1N=C(C2)CO

DOS

IR

Vibrations