Geometry & MOs

Info

ID:	260816
PubChem CID:	103205745
Reduced:	ClN2O2F3C12H14 (1)
Stoich.:	AB2C2D3E12F14 (1)
Weight, g/mol:	319.068985
ΔH_f, kcal/mol:	-246.88
Dipole, Da:	3.85
IP(EA), eV:	-8.29(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,2-difluoroethoxy)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)CCOCC(F)(F)F)Cl)N

DOS

IR

Vibrations