Geometry & MOs

Info

ID:	445062
PubChem CID:	135264409
Reduced:	SN3H15C22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	455.145619
ΔH_f, kcal/mol:	152.18
Dipole, Da:	1.54
IP(EA), eV:	-7.97(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-(4-phenyl-6-thieno[3,2-c]carbazol-6-ylpyridin-2-yl)ethenyl]prop-2-en-1-imine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=C5C=CC=CC5=CNN4)C=CC6=C3SC=C6

DOS

IR

Vibrations