Geometry & MOs

Info

ID:	433101
PubChem CID:	135173238
Reduced:	NSH23C36 (1)
Stoich.:	ABC23D36 (1)
Weight, g/mol:	517.186421
ΔH_f, kcal/mol:	166.47
Dipole, Da:	3.12
IP(EA), eV:	-8.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-dibenzothiophen-2-yl-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]inden-1-yl]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)C4=CC5=C(C=C4)SC6=CC=CC=C65)C7=CC=CC=C72)C8=CC=CC=N8

DOS

IR

Vibrations