Geometry & MOs

Info

ID:	73316
PubChem CID:	48417413
Reduced:	SO3N5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	329.067952
ΔH_f, kcal/mol:	-37.1
Dipole, Da:	4.23
IP(EA), eV:	-9.22(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations