Geometry & MOs

Info

ID:	73213
PubChem CID:	48417210
Reduced:	SO3N5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	339.133139
ΔH_f, kcal/mol:	-20.96
Dipole, Da:	4.78
IP(EA), eV:	-9.21(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(5-amino-4-cyanopyrazol-1-yl)-1-oxopropan-2-yl]-3-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations