Geometry & MOs

Info

ID:	43365
PubChem CID:	10321180
Reduced:	OF3N5C23H24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	443.173273
ΔH_f, kcal/mol:	-143.86
Dipole, Da:	3.13
IP(EA), eV:	-8.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3R,5R,6S)-2-oxo-3-(3-oxopropyl)-5,6-diphenylmorpholine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC=C2NC(=O)NC3CCN(CC3)C4=CC=CC(=N4)C(F)(F)F)C(=N1)C

DOS

IR

Vibrations