Geometry & MOs

Info

ID:	73059
PubChem CID:	48416909
Reduced:	SO3N7C17H19 (1)
Stoich.:	AB3C7D17E19 (1)
Weight, g/mol:	399.080139
ΔH_f, kcal/mol:	-2.04
Dipole, Da:	10.01
IP(EA), eV:	-9.49(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazole-1-carbonyl)phenyl]-3-fluoro-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations