Geometry & MOs

Info

ID:	318859
PubChem CID:	126653560
Reduced:	OF3N4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	720.363935
ΔH_f, kcal/mol:	-154.27
Dipole, Da:	6.11
IP(EA), eV:	-8.84(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis[5-(2-butyloctyl)thiophen-2-yl]-4,8-dimethyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole

Drug info:

PubChemData

Smile

CC[C@]1(CNCCO1)CC2=CC=C(C=C2)NC3=NC=C(C=N3)C(F)(F)F

DOS

IR

Vibrations