Geometry & MOs

Info

ID:	297629
PubChem CID:	117624247
Reduced:	SN2C25H34 (1)
Stoich.:	AB2C25D34 (1)
Weight, g/mol:	569.214625
ΔH_f, kcal/mol:	13.85
Dipole, Da:	2.55
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,6-dihexylthieno[2,3-f][1]benzothiol-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

Drug info:

PubChemData

Smile

CCCCCCC1=CC(=C(S1)C2=CC(=NC=C2)C3=CC=CN3)CCCCCC

DOS

IR

Vibrations