Geometry & MOs

Info

ID:	61875
PubChem CID:	26715330
Reduced:	ClSN3O7H18C21 (1)
Stoich.:	ABC3D7E18F21 (1)
Weight, g/mol:	428.13184
ΔH_f, kcal/mol:	-123.2
Dipole, Da:	4.77
IP(EA), eV:	-9.64(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(methylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

DOS

IR

Vibrations