Geometry & MOs

Info

ID:	320420
PubChem CID:	126660697
Reduced:	ClFON2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	385.153407
ΔH_f, kcal/mol:	-10.43
Dipole, Da:	3.41
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-butyl-5-methyl-7-(4-methylsulfinylphenyl)-4-propylidenethieno[3,2-c]pyridine

Drug info:

PubChemData

Smile

C=CCOCC1=CC=CN1NCC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations