Geometry & MOs

Info

ID:	311644
PubChem CID:	126596722
Reduced:	O2N3H23C38 (1)
Stoich.:	A2B3C23D38 (1)
Weight, g/mol:	631.208219
ΔH_f, kcal/mol:	158.11
Dipole, Da:	3.27
IP(EA), eV:	-8.22(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4b-methyl-12-phenyl-11bH-[1]benzothiolo[2,3-a]carbazol-10-yl)-3-carbazol-9-ylbenzonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)N(C3=CC=CC=C23)C4=CC=CC(=C4C5=CC6=C(C=C5)OC7C6C=CC8=C7OC9=C8C=C(C=C9)C#N)C#N

DOS

IR

Vibrations