Geometry & MOs

Info

ID:	314143
PubChem CID:	126620584
Reduced:	NSH29C44 (1)
Stoich.:	ABC29D44 (1)
Weight, g/mol:	619.233371
ΔH_f, kcal/mol:	189.3
Dipole, Da:	2.07
IP(EA), eV:	-8.24(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3Z,5E)-2-methylidene-5-phenyl-7H-1-benzothionin-9-yl]phenyl]-3,5-diphenylindole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=C3C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)SC8=C7C=C(C=C8)C9=CC=CC=C9

DOS

IR

Vibrations