Geometry & MOs

Info

ID:	429377
PubChem CID:	135169400
Reduced:	N2O2S2H56C65 (1)
Stoich.:	A2B2C2D56E65 (1)
Weight, g/mol:	412.062543
ΔH_f, kcal/mol:	169.67
Dipole, Da:	0.43
IP(EA), eV:	-7.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=C(C5(CCCOCC7=CC=CS7)CCCOCC8=CC=CS8)C=C(C=C6)C9=CC=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations