Geometry & MOs

Info

ID:	51679
PubChem CID:	12014392
Reduced:	SN2H17C24 (2)
Stoich.:	AB2C17D24 (2)
Weight, g/mol:	728.231992
ΔH_f, kcal/mol:	258.4
Dipole, Da:	3.53
IP(EA), eV:	-8.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-bis(3,4-diphenylthiophen-2-yl)-1-N,4-N-diphenylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(SC(=N2)N(C3=CC=CC=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=NC(=C(S6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations