Geometry & MOs

Info

ID:	142281
PubChem CID:	53008621
Reduced:	FSO2N4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	370.058755
ΔH_f, kcal/mol:	-59.76
Dipole, Da:	9.26
IP(EA), eV:	-9.26(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl) 1-(3-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)S(=O)(=O)NCCC2=NC(=NN2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations