Geometry & MOs

Info

ID:	13785
PubChem CID:	398188
Reduced:	O2S2N3H23C27 (1)
Stoich.:	A2B2C3D23E27 (1)
Weight, g/mol:	485.123169
ΔH_f, kcal/mol:	103.98
Dipole, Da:	8.18
IP(EA), eV:	-8.13(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,1-dioxo-2-[7-(5-piperidin-1-ylthiophen-2-yl)hepta-2,4,6-trienylidene]-1-benzothiophen-3-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=C(S2)C=CC=CC=CC=C3C(=C(C#N)C#N)C4=CC=CC=C4S3(=O)=O

DOS

IR

Vibrations