Geometry & MOs

Info

ID:	50431
PubChem CID:	12012967
Reduced:	SO2H10C13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	264.001178
ΔH_f, kcal/mol:	11.26
Dipole, Da:	5.47
IP(EA), eV:	-8.99(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-2H-thiopyrano[3,2-c]chromen-5-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)C3=C2SCC=C3

DOS

IR

Vibrations