Geometry & MOs

Info

ID:	378756
PubChem CID:	134224853
Reduced:	S2N3H27C48 (1)
Stoich.:	A2B3C27D48 (1)
Weight, g/mol:	536.11396
ΔH_f, kcal/mol:	248.66
Dipole, Da:	1.5
IP(EA), eV:	-8.17(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-2-[4-(4-bromophenyl)phenyl]-2-phenylethenyl]-4-phenylnaphthalene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(C5=CC=CC=C5S4)N=C3N6C7=CC8=CC=CC=C8C=C7C9=C6C=C1C(=C9)C2=C(S1)C1=CC=CC=C1C=C2

DOS

IR

Vibrations