Geometry & MOs

Info

ID:	173353
PubChem CID:	75626397
Reduced:	ClFSO2N3H11C15 (1)
Stoich.:	ABCD2E3F11G15 (1)
Weight, g/mol:	393.147075
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	3.76
IP(EA), eV:	-9.5(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]pyrazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2C(=N1)C=CS2)C(=O)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations