Geometry & MOs

Info

ID:	268828
PubChem CID:	103601133
Reduced:	OSC14H22 (1)
Stoich.:	ABC14D22 (1)
Weight, g/mol:	250.066365
ΔH_f, kcal/mol:	-45.73
Dipole, Da:	0.63
IP(EA), eV:	-8.56(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-(2-methylsulfanylethoxy)chromen-2-one

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC=C(C=C1)OCCSC

DOS

IR

Vibrations