Geometry & MOs

Info

ID:	61292
PubChem CID:	26708009
Reduced:	F2O2N5H19C26 (1)
Stoich.:	A2B2C5D19E26 (1)
Weight, g/mol:	452.188212
ΔH_f, kcal/mol:	-24.33
Dipole, Da:	12.71
IP(EA), eV:	-8.14(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzylpyrazol-4-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)NC(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4F)C5=CC=C(C=C5)F

DOS

IR

Vibrations