Geometry & MOs

Info

ID:	312553
PubChem CID:	126606487
Reduced:	OS2F3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	310.102751
ΔH_f, kcal/mol:	-140.8
Dipole, Da:	9.58
IP(EA), eV:	-8.72(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-diethylphenyl)-2-sulfanylchromen-7-one

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C=C1)C2=C(SC3=CC(=O)C=CC3=C2)S)C(F)(F)F

DOS

IR

Vibrations