Geometry & MOs

Info

ID:	170455
PubChem CID:	75236518
Reduced:	SF3N3O3C25H26 (1)
Stoich.:	AB3C3D3E25F26 (1)
Weight, g/mol:	532.293722
ΔH_f, kcal/mol:	-212.81
Dipole, Da:	7.66
IP(EA), eV:	-9.85(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-methoxy-2-methylpropyl)-2-oxopyridin-4-yl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=NN=C(S2)C(F)(F)F)N3CCC(OC3=O)(CC(C)(C)O)C4=CC=CC=C4

DOS

IR

Vibrations