Geometry & MOs

Info

ID:	221872
PubChem CID:	85291487
Reduced:	SO3C14H26 (1)
Stoich.:	AB3C14D26 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-144.53
Dipole, Da:	2.18
IP(EA), eV:	-10.66(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methyl]-3,6-dimethyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[c][1,2]oxazol-4-one

Drug info:

PubChemData

Smile

CC(CCCCCCCCCC#C)OS(=O)(=O)C

DOS

IR

Vibrations