Geometry & MOs

Info

ID:	150813
PubChem CID:	53790509
Reduced:	O5C39H74 (1)
Stoich.:	A5B39C74 (1)
Weight, g/mol:	298.102751
ΔH_f, kcal/mol:	-373.47
Dipole, Da:	4.57
IP(EA), eV:	-10.34(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-3-[(2-methylphenyl)methyl]-2,3-dihydrothiochromen-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC(C(=O)C)OC(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations