Geometry & MOs

Info

ID:	300440
PubChem CID:	121281657
Reduced:	SF3N3O5C18H18 (1)
Stoich.:	AB3C3D5E18F18 (1)
Weight, g/mol:	383.091532
ΔH_f, kcal/mol:	-277.59
Dipole, Da:	5.51
IP(EA), eV:	-9.2(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]cyclohexene-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(=CC1)C(=O)NC2=C(C3=C(S2)CCC3)C4=NC(=NO4)C(F)(F)F.C(=O)(O)O

DOS

IR

Vibrations