Geometry & MOs

Info

ID:	244009
PubChem CID:	99309253
Reduced:	FON2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	447.142819
ΔH_f, kcal/mol:	-98.11
Dipole, Da:	3.48
IP(EA), eV:	-9.25(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R)-N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)NCCNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)F

DOS

IR

Vibrations