Geometry & MOs

Info

ID:	73259
PubChem CID:	48417300
Reduced:	O3N4H12C14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	347.105211
ΔH_f, kcal/mol:	-17.65
Dipole, Da:	6.12
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropyl]-2,5-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations