Geometry & MOs

Info

ID:	196592
PubChem CID:	78851907
Reduced:	OCl2N2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	445.158389
ΔH_f, kcal/mol:	14.98
Dipole, Da:	5.39
IP(EA), eV:	-9.44(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(C2CC2)C(=O)C3=CC(=NC(=C3)Cl)Cl

DOS

IR

Vibrations