Geometry & MOs

Info

ID:	177783
PubChem CID:	76230215
Reduced:	ClSN2O4H19C22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-77.14
Dipole, Da:	6.49
IP(EA), eV:	-8.35(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-5-phenylpyrazolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C=CC3=CC=CC=C3)Cl

DOS

IR

Vibrations