Geometry & MOs

Info

ID:	121249
PubChem CID:	50760176
Reduced:	FSN2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	521.234828
ΔH_f, kcal/mol:	-115.98
Dipole, Da:	3.4
IP(EA), eV:	-9.15(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-methyl-1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=C1C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)F)N(C1=O)C)C

DOS

IR

Vibrations