Geometry & MOs

Info

ID:	73000
PubChem CID:	48416781
Reduced:	FOSN7H10C17 (1)
Stoich.:	ABCD7E10F17 (1)
Weight, g/mol:	305.05826
ΔH_f, kcal/mol:	113.96
Dipole, Da:	6.57
IP(EA), eV:	-9.37(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-amino-4-cyanopyrazole-1-carbonyl)phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC(=NN2C3=CC=C(C=C3)F)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations