Geometry & MOs

Info

ID:	73264
PubChem CID:	48417310
Reduced:	O3N4C15H16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	376.095374
ΔH_f, kcal/mol:	-26.0
Dipole, Da:	5.71
IP(EA), eV:	-8.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)N2C(=C(C=N2)C#N)N)OC

DOS

IR

Vibrations