Geometry & MOs

Info

ID:	141099
PubChem CID:	52817821
Reduced:	SF2N2O4C21H24 (1)
Stoich.:	AB2C2D4E21F24 (1)
Weight, g/mol:	426.150347
ΔH_f, kcal/mol:	-229.15
Dipole, Da:	7.96
IP(EA), eV:	-9.45(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C(=O)NCCC2=CC(=CC(=C2)F)F)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations