Geometry & MOs

Info

ID:	26186
PubChem CID:	640595
Reduced:	BrOH13C17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	308.050715
ΔH_f, kcal/mol:	27.45
Dipole, Da:	3.05
IP(EA), eV:	-8.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-phenylthiopyrano[2,3-e][1]benzofuran-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations