Geometry & MOs

Info

ID:	68717
PubChem CID:	46508971
Reduced:	FSO2N5H20C23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	3.35
Dipole, Da:	4.43
IP(EA), eV:	-8.83(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations