Geometry & MOs

Info

ID:	287372
PubChem CID:	104239426
Reduced:	BrN2O2S2C11H11 (1)
Stoich.:	AB2C2D2E11F11 (1)
Weight, g/mol:	334.06808
ΔH_f, kcal/mol:	-26.63
Dipole, Da:	3.25
IP(EA), eV:	-9.19(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)CS(=O)(=O)N)C2=CC(=CC=C2)Br

DOS

IR

Vibrations