Geometry & MOs

Info

ID:	73216
PubChem CID:	48417215
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	344.069159
ΔH_f, kcal/mol:	23.99
Dipole, Da:	2.5
IP(EA), eV:	-9.51(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(2-cyanoethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2C(=C(C=N2)C#N)N)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations