Geometry & MOs

Info

ID:	221583
PubChem CID:	85280585
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.087101
ΔH_f, kcal/mol:	-115.82
Dipole, Da:	4.79
IP(EA), eV:	-9.47(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-10-methyl-3-thiatetracyclo[6.6.0.02,6.09,13]tetradeca-4,9-dien-11-one

Drug info:

PubChemData

Smile

CC1C2CC3C(=C(CC2OC1=O)C)CC4C3(O4)C

DOS

IR

Vibrations