Geometry & MOs

Info

ID:	167642
PubChem CID:	74851299
Reduced:	S2N3O4H19C20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-23.59
Dipole, Da:	6.41
IP(EA), eV:	-9.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CON=CC3=CC=CS3

DOS

IR

Vibrations