Geometry & MOs

Info

ID:	209928
PubChem CID:	80739688
Reduced:	NOS2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	366.93363
ΔH_f, kcal/mol:	22.18
Dipole, Da:	3.47
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-bromo-2-(4-nitrophenyl)ethyl]thieno[3,2-b]thiophene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CN)C(C2=CC3=C(S2)C=CS3)O

DOS

IR

Vibrations