Geometry & MOs

Info

ID:	61025
PubChem CID:	26704517
Reduced:	SO4N5C23H23 (1)
Stoich.:	AB4C5D23E23 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	6.27
IP(EA), eV:	-9.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzylpyrazol-4-yl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations