Geometry & MOs

Info

ID:	311638
PubChem CID:	126596027
Reduced:	OSN5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	593.192569
ΔH_f, kcal/mol:	63.79
Dipole, Da:	6.74
IP(EA), eV:	-8.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-cyano-6-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)cyclohexa-1,3-dien-1-yl]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CNC2=NC(=NC3=C2N(C=C3)CC4=CC=CC=C4OC)C

DOS

IR

Vibrations