Geometry & MOs

Info

ID:	209923
PubChem CID:	80739239
Reduced:	ClFON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	336.92307
ΔH_f, kcal/mol:	-53.7
Dipole, Da:	1.83
IP(EA), eV:	-8.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-2-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC2=C(C=C(C=C2)Cl)F)N

DOS

IR

Vibrations