Geometry & MOs

Info

ID:	73018
PubChem CID:	48416813
Reduced:	O2N4H10C11 (1)
Stoich.:	A2B4C10D11 (1)
Weight, g/mol:	349.084475
ΔH_f, kcal/mol:	17.75
Dipole, Da:	4.38
IP(EA), eV:	-9.43(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=COC(=C1)CCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations