Geometry & MOs

Info

ID:	183598
PubChem CID:	77044360
Reduced:	OSN4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	318.111024
ΔH_f, kcal/mol:	43.53
Dipole, Da:	2.57
IP(EA), eV:	-9.43(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[3-(1H-1,2,4-triazol-5-yl)propylsulfamoyl]pyrazolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC(=C1)C=CC(=O)NCCC2=NC=NN2

DOS

IR

Vibrations