Geometry & MOs

Info

ID:	154320
PubChem CID:	56313736
Reduced:	FSN3O4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	407.278407
ΔH_f, kcal/mol:	-124.75
Dipole, Da:	2.41
IP(EA), eV:	-9.89(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCC2=CC(=CC=C2)S(=O)(=O)NCC3=CC(=CC=C3)F

DOS

IR

Vibrations