Geometry & MOs

Info

ID:	43482
PubChem CID:	10321367
Reduced:	NC16H17 (2)
Stoich.:	AB16C17 (2)
Weight, g/mol:	446.097953
ΔH_f, kcal/mol:	102.94
Dipole, Da:	0.95
IP(EA), eV:	-8.6(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-cyano-4-methylthiophen-2-yl]-2-ethylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCC2=CC=CC=C2N=NC3=CC=CC=C3CCCCC4=CC=CC=C4

DOS

IR

Vibrations