Geometry & MOs

Info

ID:	50433
PubChem CID:	12012969
Reduced:	ClSO2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	246.035065
ΔH_f, kcal/mol:	-47.4
Dipole, Da:	6.15
IP(EA), eV:	-9.14(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)C3=C2SCC=C3CCl

DOS

IR

Vibrations