Geometry & MOs

Info

ID:	249166
PubChem CID:	103087360
Reduced:	FSCl2N2O2H11C13 (1)
Stoich.:	ABC2D2E2F11G13 (1)
Weight, g/mol:	185.098669
ΔH_f, kcal/mol:	-86.85
Dipole, Da:	3.77
IP(EA), eV:	-8.69(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)-1H-pyrazol-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)CNS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations