Geometry & MOs

Info

ID:	209917
PubChem CID:	80739226
Reduced:	OS2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	313.980227
ΔH_f, kcal/mol:	46.02
Dipole, Da:	4.48
IP(EA), eV:	-8.8(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-chloro-2-(2,4-difluorophenyl)ethyl]thieno[3,2-b]thiophene

Drug info:

PubChemData

Smile

CCC(C1=NN=C(O1)C2=CC3=C(S2)C=CS3)NCC

DOS

IR

Vibrations