Geometry & MOs

Info

ID:	166101
PubChem CID:	74637488
Reduced:	FSN3O6H20C22 (1)
Stoich.:	ABC3D6E20F22 (1)
Weight, g/mol:	313.147807
ΔH_f, kcal/mol:	-159.16
Dipole, Da:	4.55
IP(EA), eV:	-9.42(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC(=O)NNC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)F

DOS

IR

Vibrations