Geometry & MOs

Info

ID:	145544
PubChem CID:	53542880
Reduced:	ClSN2O3C14H21 (1)
Stoich.:	ABC2D3E14F21 (1)
Weight, g/mol:	291.028932
ΔH_f, kcal/mol:	-111.84
Dipole, Da:	5.54
IP(EA), eV:	-9.09(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyrazol-4-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)NCC(C1=CC(=CC=C1)Cl)N2CCOCC2

DOS

IR

Vibrations