Geometry & MOs

Info

ID:	223686
PubChem CID:	85335419
Reduced:	SCl2O2N4H22C23 (1)
Stoich.:	AB2C2D4E22F23 (1)
Weight, g/mol:	490.162803
ΔH_f, kcal/mol:	7.37
Dipole, Da:	6.58
IP(EA), eV:	-8.98(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]-1-(3,3,3-trifluoropropanoylamino)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCN(C1)CC2=CC=CC=C2)C(=O)C=C3C(=O)N=C(S3)NC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations