Geometry & MOs

Info

ID:	398544
PubChem CID:	135033770
Reduced:	SO4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	318.011743
ΔH_f, kcal/mol:	-116.58
Dipole, Da:	6.92
IP(EA), eV:	-8.66(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-hydroxy-3-(4-methylphenyl)sulfanylchromen-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=C(C3=C(C=C(C=C3)OC)OC2=O)O

DOS

IR

Vibrations