Geometry & MOs

Info

ID:	136716
PubChem CID:	52088909
Reduced:	FSN3O3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	510.02603
ΔH_f, kcal/mol:	-97.96
Dipole, Da:	1.61
IP(EA), eV:	-9.27(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)F)C(=O)C

DOS

IR

Vibrations