Geometry & MOs

Info

ID:	73053
PubChem CID:	48416890
Reduced:	O2N6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	385.064489
ΔH_f, kcal/mol:	8.74
Dipole, Da:	4.07
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations