Geometry & MOs

Info

ID:	400110
PubChem CID:	135045565
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	244.001657
ΔH_f, kcal/mol:	-64.32
Dipole, Da:	2.65
IP(EA), eV:	-8.89(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-thiophen-3-ylthiochromen-4-one

Drug info:

PubChemData

Smile

COC(C1=CCCC=C1)OC

DOS

IR

Vibrations