Geometry & MOs

Info

ID:	396055
PubChem CID:	135027313
Reduced:	SO4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-104.74
Dipole, Da:	4.35
IP(EA), eV:	-8.75(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S,15R)-9-methoxy-10-oxatricyclo[7.5.1.05,15]pentadeca-2,4,7-trien-6-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=CC3=CC=CC=C3C=C21)C(=O)OC

DOS

IR

Vibrations