Geometry & MOs

Info

ID:	184298
PubChem CID:	77141957
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	327.067762
ΔH_f, kcal/mol:	-43.38
Dipole, Da:	5.95
IP(EA), eV:	-8.71(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(5-methylthiophen-2-yl)methylidene]-2-(3-nitrophenyl)pyrazol-3-one

Drug info:

PubChemData

Smile

CS(=O)(=O)NC(CC1=CC=CC=C1)CN2CCNCC2CC3=CC=CC=C3

DOS

IR

Vibrations