Geometry & MOs

Info

ID:	165549
PubChem CID:	74564369
Reduced:	ON5C20H24 (1)
Stoich.:	AB5C20D24 (1)
Weight, g/mol:	504.102289
ΔH_f, kcal/mol:	54.03
Dipole, Da:	6.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.879308
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1CC(OC1)C[N+]2=C3NC4=CC=CC=C4N3CN(C2)CC5=CN=CC=C5

DOS

IR

Vibrations